SCHEMBL4469925

SCHEMBL4469925

COc1cc(Nc2ncnc3cnc(N4CCOCC4)cc23)ccc1Oc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.54
EGFR P00533 11/20 0.51
BRAF P15056 2/20 0.51
LCK P06239 2/20 0.50
SRC P12931 3/20 0.49
KDR P35968 2/20 0.49
KIT P10721 2/20 0.47
CSF1R P07333 1/20 0.47
GAK O14976 2/20 0.46
ERBB4 Q15303 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
CLK1 P49759 1/20 0.46
CIT O14578 1/20 0.45
EPHB6 O15197 1/20 0.45
ABCC4 O15439 1/20 0.45
DAPK3 O43293 1/20 0.45
RIPK2 O43353 1/20 0.45
NR1I2 O75469 1/20 0.45
RPS6KA4 O75676 1/20 0.45
STK17B O94768 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
SCHEMBL4465424 0.88 MAPT (0.52) ERBB2EGFRBRAFLCKSRC
SCHEMBL5786009 0.86 EGFR (0.50) ERBB2EGFRBRAFLCKSRC
SCHEMBL4471668 0.84 SRC (0.61) ERBB2EGFRBRAFLCKSRC
SCHEMBL4461985 0.83 EGFR (0.60) ERBB2EGFRBRAFLCKSRC
SCHEMBL4462956 0.81 EGFR (0.76) ERBB2EGFRLCKSRCKDR
SCHEMBL4458635 0.81 SRC (0.76) ERBB2EGFRBRAFLCKSRC
SCHEMBL4458762 0.81 EGFR (0.57) ERBB2EGFRLCKSRCKDR
SCHEMBL4473865 0.78 KDR (0.55) EGFRLCKSRCKDRGAK
SCHEMBL4471950 0.77 ERBB2 (0.64) ERBB2EGFRBRAFMAPTMAPK10
SCHEMBL4466185 0.77 ERBB2 (0.68) ERBB2EGFRBRAFERBB4ERBB3

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 166/4885BRAF 508/4885

“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.