SCHEMBL4473892

SCHEMBL4473892

COc1cc2ncc(C#N)c(Nc3ccc(OC4CCN(C(=O)C5CCC5)CC4)c(C)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.69
SRC P12931 2/20 0.63
EGFR P00533 1/20 0.62
ERBB2 P04626 1/20 0.62
RAF1 P04049 1/20 0.61
MAPK3 P27361 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL4462012 0.94 MAP2K1 (0.69) MAP2K1SRCEGFRERBB2RAF1
SCHEMBL4457374 0.90 ERBB2 (0.66) MAP2K1SRCEGFRERBB2
SCHEMBL4473645 0.88 ERBB2 (0.72) MAP2K1SRCEGFRERBB2
SCHEMBL4461439 0.88 ERBB2 (0.74) MAP2K1SRCEGFRERBB2
SCHEMBL4464007 0.87 ERBB2 (0.70) MAP2K1SRCEGFRERBB2RAF1
SCHEMBL4465391 0.83 ERBB2 (0.68) MAP2K1SRCEGFRERBB2
SCHEMBL4458764 0.83 ERBB2 (0.59) MAP2K1EGFRERBB2
SCHEMBL6382223 0.82 MAP2K1 (0.78) MAP2K1SRCEGFRERBB2RAF1
SCHEMBL4469908 0.81 ERBB2 (0.63) MAP2K1SRCEGFRERBB2
SCHEMBL6386447 0.81 SRC (0.77) MAP2K1SRCEGFRERBB2RAF1

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 MAP2K1 4085/4885SRC 2255/4885EGFR 166/4885

“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.