SCHEMBL4801631

SCHEMBL4801631

COCCOc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1C#CCNC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.56
EGFR P00533 10/20 0.56
FECH P22830 1/20 0.56
CDK8 P49336 1/20 0.56
MAP2K5 Q13163 1/20 0.56
CDK19 Q9BWU1 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
ERBB3 P21860 1/20 0.49
ERBB4 Q15303 1/20 0.49
ILK Q13418 1/20 0.48
KCNH2 Q12809 2/20 0.46

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
SCHEMBL6173544 0.93 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176502 0.88 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6056171 0.87 ERBB2 (0.48) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174284 0.86 ERBB2 (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175059 0.85 HDAC3 (0.54) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4466690 0.84 EGFR (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618008 0.84 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176049 0.83 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176860 0.83 EGFR (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174433 0.79 ERBB2 (0.57) 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 9 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
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 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
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 119/4885FECH 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-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

“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.