SCHEMBL10068622

SCHEMBL10068622

CN[C@H]1CC[C@@H](Oc2cc3c(Nc4ccc(F)c(C)c4)ncnc3cc2OC)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.63
KDR P35968 8/20 0.60
EPHB4 P54760 4/20 0.60
EPHA2 P29317 3/20 0.60
ERBB2 P04626 6/20 0.57
FBP1 P09467 2/20 0.57
CLK1 P49759 2/20 0.57
RET P07949 2/20 0.57
KIF5B P33176 2/20 0.57
AURKA O14965 1/20 0.57
INSR P06213 1/20 0.57
PDGFRB P09619 1/20 0.57
FLT4 P35916 1/20 0.57
TEK Q02763 1/20 0.57
AURKB Q96GD4 1/20 0.57
RIPK2 O43353 1/20 0.57
NOD1 Q9Y239 1/20 0.57
FLT1 P17948 3/20 0.54
FGFR1 P11362 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53

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
SCHEMBL29623672 0.90 EGFR (0.78) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL169705 0.90 EGFR (0.78) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL29623530 0.90 EGFR (0.78) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL185506 0.90 EGFR (0.78) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL209251 0.90 EGFR (0.78) EGFRKDREPHB4EPHA2ERBB2
Hydrochloric Acid SCHEMBL1446712 0.89 EGFR (0.77) EGFRKDREPHB4EPHA2ERBB2
Hydrochloric Acid SCHEMBL669393 0.89 EGFR (0.77) EGFRKDREPHB4EPHA2ERBB2
Hydrochloric Acid SCHEMBL1446448 0.89 EGFR (0.77) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL2286735 0.87 EGFR (0.63) EGFRKDREPHB4EPHA2ERBB2
SCHEMBL3395232 0.82 EGFR (0.64) EGFRKDREPHB4EPHA2ERBB2

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 EGFR 412/4885KDR 3643/4885EPHB4 3887/4885

“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.