SCHEMBL4454994

SCHEMBL4454994

COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1OCCCN1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.73
EGFR P00533 12/20 0.68
KDR P35968 11/20 0.68
EPHB4 P54760 2/20 0.65
BRAF P15056 2/20 0.65
LCK P06239 2/20 0.65
RET P07949 2/20 0.65
MET P08581 2/20 0.65
MAPT P10636 2/20 0.65
LTK P29376 2/20 0.65
TNK2 Q07912 2/20 0.65
MAP4K5 Q9Y4K4 2/20 0.65
CIT O14578 1/20 0.65
GAK O14976 1/20 0.65
EPHB6 O15197 1/20 0.65
ABCC4 O15439 1/20 0.65
DAPK3 O43293 1/20 0.65
RIPK2 O43353 1/20 0.65
NR1I2 O75469 1/20 0.65
RPS6KA4 O75676 1/20 0.65

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
SCHEMBL12743371 0.91 SRC (0.59) SRCEGFRKDREPHB4BRAF
SCHEMBL4458087 0.88 ERBB2 (0.55) SRCEGFRKDREPHB4BRAF
SCHEMBL19154598 0.86 SRC (0.80) SRCEGFRKDREPHB4BRAF
SCHEMBL4465654 0.85 MAP2K1 (0.76) SRCEGFRABL1ERBB2MAP2K1
SCHEMBL4471160 0.85 EGFR (0.70) SRCEGFRKDRLCKRET
SCHEMBL799681 0.84 EGFR (0.83) SRCEGFRKDREPHB4BRAF
SCHEMBL25967376 0.84 SRC (0.77) SRCEGFRKDREPHB4BRAF
SCHEMBL4472340 0.83 ERBB2 (0.77) SRCEGFRKDRLCKRET
SCHEMBL15591842 0.83 EGFR (0.89) SRCEGFRKDREPHB4BRAF
SCHEMBL12743364 0.83 SRC (0.65) SRCEGFRKDREPHB4BRAF

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 SRC 2255/4885EGFR 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.