SCHEMBL3699240

SCHEMBL3699240

COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccccc5)cc4C(C)C)cc3)ccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YES1 P07947 2/20 0.48
FGFR2 P21802 5/20 0.46
MET P08581 7/20 0.43
CYP3A4 P08684 3/20 0.40
IKBKB O14920 1/20 0.38
KDR P35968 2/20 0.37
RIPK2 O43353 1/20 0.37
EGFR P00533 1/20 0.37
EPHB2 P29323 1/20 0.37
PDGFRA P16234 1/20 0.36
RET P07949 1/20 0.36
DHFR P00374 1/20 0.36
TYMS P04818 1/20 0.36
ABL1 P00519 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
SCHEMBL3701368 0.88 YES1 (0.50) YES1FGFR2METCYP3A4IKBKB
SCHEMBL3704091 0.86 YES1 (0.48) YES1FGFR2METCYP3A4IKBKB
SCHEMBL3707719 0.85 YES1 (0.47) YES1FGFR2METCYP3A4IKBKB
SCHEMBL3698189 0.84 YES1 (0.46) YES1FGFR2METCYP3A4IKBKB
SCHEMBL2204168 0.81 MAPT (0.53) YES1FGFR2KDR
SCHEMBL15663604 0.79 MAPT (0.50) FGFR2KDR
SCHEMBL15663448 0.78 FGFR2 (0.45) YES1FGFR2METCYP3A4KDR
SCHEMBL3694325 0.78 FGFR2 (0.40) YES1FGFR2METCYP3A4IKBKB
SCHEMBL2209759 0.78 FGFR2 (0.44) YES1FGFR2KDRRIPK2EGFR
SCHEMBL2209090 0.78 FGFR2 (0.46) YES1FGFR2KDRRIPK2EGFR

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.