SCHEMBL4618183

SCHEMBL4618183

Cc1cc(Nc2ncnc3ccc(C#CCNC(=O)CN(C)C)cc23)ccc1Oc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.61
EGFR P00533 7/20 0.48
FECH P22830 1/20 0.48
CDK8 P49336 1/20 0.48
MAP2K5 Q13163 1/20 0.48
CDK19 Q9BWU1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ERBB4 Q15303 1/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KCNH2 Q12809 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6174516 0.93 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6177811 0.92 ERBB2 (0.52) ERBB2EGFRERBB4HDAC1HDAC6
SCHEMBL6171500 0.92 ERBB2 (0.63) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173689 0.91 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618703 0.91 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175317 0.91 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4619123 0.91 ERBB2 (0.73) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174949 0.91 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174991 0.90 ERBB2 (0.60) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6186159 0.90 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US claimed
EP-1896030-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER Pfizer Products Incorporated (US) 2008-03-12 EP claimed
EP-1448551-B1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH OSI PHARM INC (US) 2007-10-31 EP claimed
WO-2006129163-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2006-12-07 WO claimed
EP-1682176-A1 SELECTIVE ERBB2 INHIBITOR/ANTI-ERBB ANTIBODY COMBINATIONS IN THE TREATMENT OF CANCER Pfizer Products Inc. (US) 2006-07-26 EP claimed
EP-1658080-A1 DOSING SCHEDULE FOR A ERBB2 ANTICANCER AGENTS Pfizer Products Inc. (US) 2006-05-24 EP claimed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
US-20050119288-A1 Dosing schedule for a novel anticancer agent PFIZER INC 2005-06-02 US claimed
WO-2005044302-A1 SELECTIVE ERBB2 INHIBITOR/ANTI-ERBB ANTIBODY COMBINATIONS IN THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2005-05-19 WO claimed
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer PFIZER INC 2005-05-12 US claimed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US claimed
WO-2005016347-A1 DOSING SCHEDULE FOR ERBB2 ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2005-02-24 WO claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
EP-1448551-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2004-08-25 EP claimed
US-20030171386-A1 Small molecules for the treatment of abnormal cell growth PFIZER INC. 2003-09-11 US claimed
US-20030144506-A1 Processes for the preparation of substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC. 2003-07-31 US claimed
WO-2003045939-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2003-06-05 WO claimed
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP claimed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 WO claimed
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US disclosed
EP-1896030-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER Pfizer Products Incorporated (US) 2008-03-12 EP disclosed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
EP-1740184-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
WO-2006129163-A1 COMBINATIONS OF ERBB2 INHIBITORS WITH OTHER THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2006-12-07 WO disclosed
EP-1658080-A1 DOSING SCHEDULE FOR A ERBB2 ANTICANCER AGENTS Pfizer Products Inc. (US) 2006-05-24 EP disclosed
WO-2005094830-A1 COMBINATIONS OF SIGNAL TRANSDUCTION INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
US-20050119288-A1 Dosing schedule for a novel anticancer agent PFIZER INC 2005-06-02 US disclosed
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer PFIZER INC 2005-05-12 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
WO-2005016347-A1 DOSING SCHEDULE FOR ERBB2 ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2005-02-24 WO disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
EP-1465632-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2004-10-13 EP disclosed
EP-1448551-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2004-08-25 EP disclosed
US-20030171386-A1 Small molecules for the treatment of abnormal cell growth PFIZER INC. 2003-09-11 US disclosed
US-20030144506-A1 Processes for the preparation of substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC. 2003-07-31 US disclosed
WO-2003049740-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2003-06-19 WO disclosed
WO-2003045939-A1 PROCESSES FOR THE PREPARATION OF SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2003-06-05 WO disclosed
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US disclosed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 WO disclosed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ERBB2 755/4885EGFR 119/4885FECH 3297/4885
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885FECH 3716/4885
US-20050119288-A1 Dosing schedule for a novel anticancer agent ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885FECH 4515/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885FECH 3926/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ERBB2 883/4885EGFR 164/4885FECH 2655/4885
US-20030171386-A1 Small molecules for the treatment of abnormal cell growth ERBB2, EGFR, ERBB3 ERBB2 1/4885EGFR 2/4885FECH 4706/4885
US-20030144506-A1 Processes for the preparation of substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNE1, CCNT1 ERBB2 1149/4885EGFR 148/4885FECH 3419/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 ERBB2 105/4885EGFR 152/4885FECH 3680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.