SCHEMBL4619310

SCHEMBL4619310

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(C#CC(C)N)cc34)cc2C)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.58
EGFR P00533 9/20 0.58
ERBB3 P21860 1/20 0.58
ERBB4 Q15303 1/20 0.58
KCNH2 Q12809 3/20 0.53
FECH P22830 1/20 0.53
CDK8 P49336 1/20 0.53
MAP2K5 Q13163 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL5078469 0.90 ERBB2 (0.60) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL7252585 0.88 ERBB2 (0.54) ERBB2EGFRERBB4
SCHEMBL215055 0.88 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL6173604 0.87 ERBB2 (0.57) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL4616817 0.87 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL6177639 0.86 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL6172578 0.86 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL6174169 0.85 ERBB2 (0.55) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL6175500 0.85 ERBB2 (0.61) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL6174789 0.84 ERBB2 (0.55) ERBB2EGFRERBB3ERBB4KCNH2

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 13 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 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
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-1682176-A1 SELECTIVE ERBB2 INHIBITOR/ANTI-ERBB ANTIBODY COMBINATIONS IN THE TREATMENT OF CANCER Pfizer Products Inc. (US) 2006-07-26 EP disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
WO-2005044302-A1 SELECTIVE ERBB2 INHIBITOR/ANTI-ERBB ANTIBODY COMBINATIONS IN THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2005-05-19 WO 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
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP 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

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

For each of this compound's patents that has machine-readable text (4 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 119/4885ERBB3 585/4885
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885ERBB3 2/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885ERBB3 2/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 ERBB2 883/4885EGFR 164/4885ERBB3 548/4885

“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.