SCHEMBL10080593

SCHEMBL10080593

CCOc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1N

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.65
EGFR P00533 14/20 0.61
ERBB2 P04626 3/20 0.54
ERBB4 Q15303 2/20 0.54
AURKA O14965 2/20 0.53
KDR P35968 2/20 0.53
INSR P06213 1/20 0.53
PDGFRB P09619 1/20 0.53
FLT4 P35916 1/20 0.53
CLK1 P49759 1/20 0.53
EPHB4 P54760 1/20 0.53
TEK Q02763 1/20 0.53
AURKB Q96GD4 1/20 0.53
RIPK2 O43353 1/20 0.53
RET P07949 1/20 0.53
KIF5B P33176 1/20 0.53
NOD1 Q9Y239 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
SCHEMBL15217642 0.91 FBP1 (0.77) FBP1EGFRERBB2ERBB4AURKA
SCHEMBL12846249 0.89 EGFR (0.64) FBP1EGFRERBB2AURKAKDR
SCHEMBL10081608 0.89 EGFR (0.62) FBP1EGFRERBB2AURKAKDR
SCHEMBL26637 0.88 FBP1 (0.84) FBP1EGFRERBB2AURKAKDR
SCHEMBL30912752 0.88 FBP1 (0.84) FBP1EGFRERBB2AURKAKDR
SCHEMBL12641780 0.83 EGFR (0.51) FBP1EGFRERBB2ERBB4KDR
SCHEMBL26350 0.81 FBP1 (0.72) FBP1EGFRERBB2AURKAKDR
SCHEMBL18633004 0.81 EGFR (0.50) FBP1EGFRERBB2AURKAKDR
SCHEMBL18655505 0.80 FBP1 (0.85) FBP1EGFRERBB2ERBB4AURKA
SCHEMBL14979614 0.80 EGFR (0.71) FBP1EGFRERBB2ERBB4KDR

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-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-06-28 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-20120165352-A1 6-AMINO QUINAZOLINE OR 3-CYANO QUINOLINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF CSNK1G3, CSNK1A1, CSNK1A1L FBP1 1316/4885EGFR 3299/4885ERBB2 851/4885

“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.