SCHEMBL4471768

SCHEMBL4471768

Cc1ccc(Oc2ccc(Nc3ncnc4cnc(N(C)C)cc34)cc2C)cn1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.65
EGFR P00533 10/20 0.63
ERBB3 P21860 1/20 0.63
ERBB4 Q15303 1/20 0.63
KCNH2 Q12809 3/20 0.56
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
SCHEMBL4463961 0.86 ERBB2 (0.63) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL24569456 0.86 ERBB2 (0.66) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL29888167 0.86 ERBB2 (0.66) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL4463214 0.85 ERBB2 (0.64) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL24832693 0.84 ERBB2 (0.68) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL29888726 0.83 ERBB2 (0.67) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL4866251 0.83 EGFR (0.67) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL24569330 0.83 ERBB2 (0.67) ERBB2EGFRERBB3ERBB4KCNH2
SCHEMBL4471160 0.83 EGFR (0.70) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL2702250 0.82 ERBB2 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 US claimed
US-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO disclosed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 US 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 (1 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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY ERBB2 1183/4885EGFR 166/4885ERBB3 626/4885

“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.