SCHEMBL3711136

SCHEMBL3711136

CCc1cc(-c2ccc(C)cc2)nnc1Nc1ccc(Nc2ccnc3cc(OC)cnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.43
CYP3A4 P08684 5/20 0.43
KCNH2 Q12809 2/20 0.40
ACP1 P24666 1/20 0.39
YES1 P07947 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38

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
SCHEMBL3694325 0.89 FGFR2 (0.40) METCYP3A4ACP1YES1
SCHEMBL2210862 0.87 KDR (0.38) METCYP3A4KCNH2ACP1YES1
SCHEMBL3698351 0.81 PIK3CA (0.41) METACP1YES1
SCHEMBL3704091 0.80 YES1 (0.48) METCYP3A4YES1
SCHEMBL2209662 0.79 YES1 (0.44) METCYP3A4KCNH2YES1
SCHEMBL2210697 0.77 PIK3CA (0.36) METCYP3A4ACP1YES1
SCHEMBL2210176 0.77 YES1 (0.42) METCYP3A4ACP1YES1
SCHEMBL2206413 0.76 FGFR2 (0.39) METCYP3A4KCNH2YES1
SCHEMBL3705744 0.75 MET (0.45) METCYP3A4KCNH2YES1
SCHEMBL3707561 0.74 MAPKAPK2 (0.55) ACP1

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 MET 567/4885CYP3A4 3294/4885KCNH2 2509/4885

“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.