SCHEMBL4458744

SCHEMBL4458744

COc1cc(Nc2c(C#N)cnc3ccc(-c4ccc(CNCCS(C)(=O)=O)o4)cc23)ccc1Oc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.62
ERBB2 P04626 13/20 0.62
ABCB11 O95342 2/20 0.54
MEN1 O00255 1/20 0.54
PIK3C2B O00750 1/20 0.54
MAP2K7 O14733 1/20 0.54
RIPK2 O43353 1/20 0.54
PIK3C2G O75747 1/20 0.54
STK10 O94804 1/20 0.54
ABL1 P00519 1/20 0.54
INSR P06213 1/20 0.54
RET P07949 1/20 0.54
CYP3A4 P08684 1/20 0.54
PDGFRB P09619 1/20 0.54
SRC P12931 1/20 0.54
CYP3A5 P20815 1/20 0.54
ERBB3 P21860 1/20 0.54
CDK2 P24941 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL4462091 0.86 EGFR (0.82) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4466692 0.82 EGFR (0.53) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4558057 0.82 RAF1 (0.46) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4466787 0.77 EGFR (0.78) EGFRERBB2SRC
SCHEMBL4461410 0.77 ERBB2 (0.46) EGFRERBB2
SCHEMBL2102732 0.76 EGFR (1.00) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL4463687 0.76 EGFR (0.62) EGFRERBB2SRC
SCHEMBL2948157 0.75 EGFR (0.69) EGFRERBB2SRC
SCHEMBL4467152 0.74 EGFR (0.45) EGFRERBB2ABCB11MEN1PIK3C2B
SCHEMBL2953662 0.74 EGFR (0.64) EGFRERBB2SRC

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 EGFR 166/4885ERBB2 1183/4885ABCB11 205/4885

“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.