SCHEMBL4470019

SCHEMBL4470019

COc1cc2ncnc(Nc3ccc(Oc4cccc(C(=O)N5CCCCC5)c4)c(C)c3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.57
EGFR P00533 9/20 0.57
KDR P35968 10/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
MAPK14 Q16539 2/20 0.53
RET P07949 1/20 0.52
SRC P12931 1/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51

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
SCHEMBL4458817 0.91 ERBB2 (0.66) ERBB2EGFRKDRFLT1FLT4
SCHEMBL4458444 0.88 ERBB2 (0.57) ERBB2EGFRKDRFLT1FLT4
Hydrochloric Acid SCHEMBL4460681 0.86 ERBB2 (0.63) ERBB2EGFRKDRMAPK14RET
SCHEMBL4458863 0.86 ERBB2 (0.60) ERBB2EGFRKDRAURKA
SCHEMBL4460085 0.85 ERBB2 (0.70) ERBB2EGFR
SCHEMBL4460883 0.84 ERBB2 (0.67) ERBB2EGFRKDRMAPK14AURKA
SCHEMBL4458687 0.83 KDR (0.69) ERBB2EGFRKDRMAPK14AURKA
SCHEMBL4465705 0.81 ERBB2 (0.83) ERBB2EGFRKDRMAPK14
SCHEMBL4460760 0.80 ERBB2 (0.65) ERBB2EGFRKDRMAPK14AURKA
SCHEMBL4460575 0.80 ERBB2 (0.65) ERBB2EGFRKDRMAPK14

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636195-A1 QUINAZOLINES AND PYRIDO[3,4-D]PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS Pfizer Products Inc. (US) 2006-03-22 EP claimed
WO-2004106308-A1 QUINAZOLINES AND PYRIDO [3,4-D] PYRIMIDINES AS RECEPTOR TYROSINE KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2004-12-09 WO claimed
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 166/4885KDR 1855/4885

“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.