SCHEMBL4458764

SCHEMBL4458764

Cc1cc(Nc2c(C#N)cnc3ccc(N4CCOCC4)cc23)ccc1OC1CCN(C(=O)C2CCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.59
EGFR P00533 8/20 0.48
MAP2K1 Q02750 1/20 0.45
CHRM4 P08173 1/20 0.45
TBK1 Q9UHD2 1/20 0.45

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
SCHEMBL4455092 0.93 ERBB2 (0.52) ERBB2EGFRMAP2K1TBK1
SCHEMBL4463880 0.85 ERBB2 (0.52) ERBB2EGFR
SCHEMBL4468667 0.85 ERBB2 (0.80) ERBB2EGFR
SCHEMBL4457374 0.85 ERBB2 (0.66) ERBB2EGFRMAP2K1
SCHEMBL4465459 0.84 ERBB2 (0.55) ERBB2EGFR
SCHEMBL4471219 0.84 ERBB2 (0.56) ERBB2EGFR
SCHEMBL4473892 0.83 MAP2K1 (0.69) ERBB2EGFRMAP2K1
SCHEMBL4473645 0.81 ERBB2 (0.72) ERBB2EGFRMAP2K1
SCHEMBL4470660 0.78 ERBB2 (0.52) ERBB2EGFR
SCHEMBL4462173 0.78 EGFR (0.56) ERBB2EGFRMAP2K1

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 166/4885MAP2K1 4085/4885

“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.