SCHEMBL666931

SCHEMBL666931

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.82
EPHB4 P54760 4/20 0.82
EPHA2 P29317 3/20 0.82
EGFR P00533 16/20 0.82
ERBB2 P04626 3/20 0.77
AURKA O14965 1/20 0.77
INSR P06213 1/20 0.77
FBP1 P09467 1/20 0.77
PDGFRB P09619 1/20 0.77
FLT4 P35916 1/20 0.77
CLK1 P49759 1/20 0.77
TEK Q02763 1/20 0.77
AURKB Q96GD4 1/20 0.77
FLT1 P17948 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
SCHEMBL1446479 0.91 EGFR (0.79) KDREPHB4EPHA2EGFRERBB2
SCHEMBL1331677 0.91 EGFR (0.79) KDREPHB4EPHA2EGFRERBB2
SCHEMBL29623406 0.91 EGFR (0.79) KDREPHB4EPHA2EGFRERBB2
SCHEMBL209526 0.91 EGFR (0.79) KDREPHB4EPHA2EGFRERBB2
SCHEMBL1446018 0.91 EGFR (0.79) KDREPHB4EPHA2EGFRERBB2
SCHEMBL121215 0.91 EGFR (0.79) KDREPHB4EPHA2EGFRERBB2
SCHEMBL907057 0.90 KDR (1.00) KDREPHB4EPHA2EGFRERBB2
SCHEMBL209251 0.90 EGFR (0.78) KDREPHB4EPHA2EGFRERBB2
Hydrochloric Acid SCHEMBL4081795 0.90 EGFR (0.78) KDREPHB4EPHA2EGFRERBB2
SCHEMBL2286559 0.90 EGFR (0.78) KDREPHB4EPHA2EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046284-A1 Salts and hydrates of 4-[(3-chloro-4-fluoro-phenyl)amino]-6-(cis-4--cyclohexan-1-yloxy)-7-methoxy-quinazoline, their use as a medicament and the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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-20120046284-A1 Salts and hydrates of 4-[(3-chloro-4-fluoro-phenyl)amino]-6-(cis-4--cyclohexan-1-yloxy)-7-methoxy-quinazoline, their use as a medicament and the preparation thereof CSNK1D, CSNK1A1, CSNK1A1L KDR 3643/4885EPHB4 3887/4885EPHA2 3771/4885

“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.