SCHEMBL10253022

SCHEMBL10253022

COc1cccc(C(O)CNC(=O)c2cc(SC3CN=C(Nc4ccccn4)S3)ccn2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ ROCK2 O75116 7/20 0.36
▸ ROCK1 Q13464 6/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL2065362 0.79 NTRK1 (0.52) CDK5CDK5R1
SCHEMBL2065972 0.67 NTRK1 (0.52) —
SCHEMBL2065974 0.67 NTRK1 (0.52) —
SCHEMBL3588019 0.67 NTRK1 (0.54) —
SCHEMBL2066540 0.67 NTRK1 (0.50) —
SCHEMBL2066543 0.67 NTRK1 (0.50) —
SCHEMBL2065681 0.64 NTRK1 (0.54) —
SCHEMBL2066674 0.63 NTRK1 (0.59) GRM4
SCHEMBL2064842 0.62 NTRK1 (0.58) —
SCHEMBL5065146 0.62 AOC3 (0.67) TDP1GAAAOC3

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-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — 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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 TDP1 447/4885ROCK2 577/4885ROCK1 380/4885

“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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