SCHEMBL3704091

SCHEMBL3704091

CCc1cc(-c2ccccc2)nnc1Nc1ccc(Oc2ccnc3cc(OC)cnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YES1 P07947 1/20 0.48
FGFR2 P21802 3/20 0.46
MET P08581 6/20 0.42
CYP3A4 P08684 2/20 0.42
RET P07949 3/20 0.39
PDGFRA P16234 2/20 0.38
KDR P35968 2/20 0.38
IKBKB O14920 1/20 0.38
KIT P10721 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKACG P22612 1/20 0.37
EGFR P00533 2/20 0.37
RIPK2 O43353 1/20 0.37
EPHB2 P29323 1/20 0.37
ERBB2 P04626 1/20 0.36
ERBB4 Q15303 1/20 0.36

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
SCHEMBL3698189 0.93 YES1 (0.46) YES1FGFR2METCYP3A4RET
SCHEMBL3707719 0.92 YES1 (0.47) YES1FGFR2METCYP3A4RET
SCHEMBL3694325 0.92 FGFR2 (0.40) YES1FGFR2METCYP3A4RET
SCHEMBL3698351 0.91 PIK3CA (0.41) YES1FGFR2METPDGFRAKDR
SCHEMBL2210176 0.91 YES1 (0.42) YES1FGFR2METCYP3A4KDR
SCHEMBL3701368 0.88 YES1 (0.50) YES1FGFR2METCYP3A4RET
SCHEMBL2206413 0.86 FGFR2 (0.39) YES1FGFR2METCYP3A4RET
SCHEMBL3699240 0.86 YES1 (0.48) YES1FGFR2METCYP3A4RET
SCHEMBL2209662 0.84 YES1 (0.44) YES1METCYP3A4PDGFRAKDR
SCHEMBL3705744 0.84 MET (0.45) YES1FGFR2METCYP3A4RET

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-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US claimed

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-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 YES1 295/4885FGFR2 334/4885MET 567/4885

“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.