SCHEMBL4462099

SCHEMBL4462099

COc1cc(Nc2c(C#N)cnc3ccc(N4CCOCC4)cc23)ccc1Oc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
ERBB2 P04626 8/20 0.56
MAP2K1 Q02750 11/20 0.53
RAF1 P04049 5/20 0.53
MAPK3 P27361 1/20 0.52
MAPK1 P28482 1/20 0.52
SRC P12931 1/20 0.51
CSF1R P07333 1/20 0.49
KIT P10721 1/20 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
SCHEMBL4465443 0.84 MAP2K1 (0.75) EGFRERBB2MAP2K1RAF1MAPK3
SCHEMBL4466787 0.84 EGFR (0.78) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL4465424 0.83 MAPT (0.52) EGFRERBB2RAF1MAPK1SRC
SCHEMBL4463687 0.82 EGFR (0.62) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL2948157 0.80 EGFR (0.69) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL4462173 0.79 EGFR (0.56) EGFRERBB2MAP2K1RAF1MAPK3
SCHEMBL4462442 0.78 EGFR (0.68) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL4458643 0.78 EGFR (0.62) EGFRERBB2MAP2K1RAF1SRC
SCHEMBL4455161 0.78 ERBB2 (0.47) EGFRERBB2MAP2K1RAF1MAPK3
SCHEMBL2953662 0.77 EGFR (0.64) EGFRERBB2MAP2K1RAF1SRC

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 1183/4885MAP2K1 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.