SCHEMBL4524170

SCHEMBL4524170

COc1cccc2c(Nc3cc(C)n[nH]3)nc(N3C[C@@H]4C[C@H]3CN4S(C)(=O)=O)nc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ VCP P55072 5/20 0.35
▸ BMPR2 Q13873 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ HTR2A P28223 1/20 0.32

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
SCHEMBL4535405 0.86 AURKA (0.37) AURKAAURKBVCPHTR2A
SCHEMBL4520280 0.85 MAP3K12 (0.38) AURKAAURKBVCPKDM4E
SCHEMBL4529458 0.82 CCR4 (0.37) AURKAKDM4E
SCHEMBL4524529 0.82 JAK3 (0.34) —
SCHEMBL2205535 0.69 AURKA (0.54) AURKAAURKBKDM4E
SCHEMBL4521856 0.69 PIN1 (0.40) —
SCHEMBL4521409 0.68 BTK (0.39) —
SCHEMBL4523076 0.66 EHMT2 (0.42) —
SCHEMBL4525127 0.65 CCR4 (0.41) —
SCHEMBL2200771 0.64 AURKB (0.53) AURKAAURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US claimed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 AURKA 401/4885AURKB 519/4885VCP 2136/4885

“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.

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