SCHEMBL4393432

SCHEMBL4393432

Oc1ccc(Nc2ncnc3cccc(OCC4CCNCC4)c23)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.48
ERBB2 P04626 11/20 0.48
KDR P35968 5/20 0.47
EPHA2 P29317 3/20 0.47
EPHB4 P54760 3/20 0.47
SRC P12931 1/20 0.46
KCNH2 Q12809 1/20 0.45
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44

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
SCHEMBL5696770 0.89 EGFR (0.47) EGFRERBB2KDREPHA2EPHB4
SCHEMBL4385924 0.85 ERBB2 (0.48) EGFRERBB2KDREPHA2EPHB4
SCHEMBL4387060 0.85 ERBB2 (0.48) EGFRERBB2KDREPHA2EPHB4
SCHEMBL4389651 0.85 ERBB2 (0.48) EGFRERBB2KDREPHA2EPHB4
SCHEMBL5490924 0.85 ERBB2 (0.48) EGFRERBB2KDREPHA2EPHB4
SCHEMBL4384923 0.85 ERBB2 (0.48) EGFRERBB2KDREPHA2EPHB4
SCHEMBL4387599 0.84 ERBB2 (0.58) EGFRERBB2SRCKCNH2
SCHEMBL4385173 0.81 ERBB2 (0.53) EGFRERBB2KDREPHA2EPHB4
SCHEMBL4387569 0.81 ERBB2 (0.53) EGFRERBB2KDREPHA2EPHB4
SCHEMBL4490078 0.79 ERBB2 (0.53) EGFRERBB2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664029-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 US disclosed
EP-1664029-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026152-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2005-03-24 WO 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR EGFR 3/4885ERBB2 1/4885KDR 14/4885

“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.