SCHEMBL4618016

SCHEMBL4618016

COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2c1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.86
ERBB2 P04626 11/20 0.86
FECH P22830 1/20 0.86
CDK8 P49336 1/20 0.86
MAP2K5 Q13163 1/20 0.86
CDK19 Q9BWU1 1/20 0.86
MKNK2 Q9HBH9 1/20 0.86
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL4618014 1.00 EGFR (0.86) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6178275 0.93 EGFR (0.75) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6178271 0.93 EGFR (0.75) EGFRERBB2FECHCDK8MAP2K5
Cp-724714 SCHEMBL95109 0.93 ERBB2 (1.00) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175084 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174132 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6174127 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
Cp-724714 SCHEMBL4796165 0.93 ERBB2 (1.00) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175088 0.93 EGFR (0.74) EGFRERBB2FECHCDK8MAP2K5
Cp-724714 SCHEMBL30450143 0.93 ERBB2 (1.00) EGFRERBB2FECHCDK8MAP2K5

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 44 patents — showing the first 20. 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
EP-1615910-A1 PROCESSES FOR THE PREPARATION OF N-((((PYRIDINYLOXY)-PHENYLAMINO)QUINAZOLINYL)-ALLYL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS WELL AS INTERMEDIATES OF SUCH PROCESSES AND PROCESSES FOR THE PREPARATION OF SUCH INTERMEDIATES Pfizer Products Inc. (US) 2006-01-18 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
US-20050026940-A1 Processes for the preparation of substituted bicyclic derivatives PFIZER INC 2005-02-03 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
WO-2004089934-A1 PROCESSES FOR THE PREPARATION OF N-((((PYRIDINYLOXY) -PHENYLAMINO) QUINAZOLINYL)- ALLYL) ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS WELL AS INTERMEDIATES OF SUCH PROCESSES AND PROCESSES FOR THE PREPARATION OF SUCH INTERMEDIATES PFIZER PRODUCTS INC. (US) 2004-10-21 WO 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-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
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed

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

For each of this compound's patents that has machine-readable text (7 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 EGFR 119/4885ERBB2 755/4885FECH 3297/4885
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885FECH 3716/4885
US-20050026940-A1 Processes for the preparation of substituted bicyclic derivatives CCNT1, CCNA1, CCNE1 EGFR 805/4885ERBB2 2842/4885FECH 3642/4885
US-20050119288-A1 Dosing schedule for a novel anticancer agent ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885FECH 4515/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR EGFR 3/4885ERBB2 1/4885FECH 3926/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 EGFR 164/4885ERBB2 883/4885FECH 2655/4885
US-20030144506-A1 Processes for the preparation of substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNE1, CCNT1 EGFR 148/4885ERBB2 1149/4885FECH 3419/4885

“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.