SCHEMBL12755100

SCHEMBL12755100

Cc1cccc(F)c1C(=O)n1nc(Nc2ccc(S(=O)(=O)NC(=O)CCN3CCN(C)CC3)cc2)nc1N

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 12/20 0.91
▸ CDK2 P24941 9/20 0.91
▸ CCNB2 O95067 5/20 0.57
▸ CCNB1 P14635 5/20 0.57
▸ CCNB3 Q8WWL7 5/20 0.57
▸ JAK1 P23458 8/20 0.56
▸ TYK2 P29597 8/20 0.56
▸ JAK3 P52333 6/20 0.56
▸ JAK2 O60674 5/20 0.56
▸ CDK4 P11802 2/20 0.56
▸ CCNA2 P20248 2/20 0.56
▸ FGFR2 P21802 2/20 0.56
▸ CCND1 P24385 2/20 0.56
▸ MAPK3 P27361 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ KDR P35968 2/20 0.56
▸ CSNK1A1 P48729 2/20 0.56
▸ CSNK1D P48730 2/20 0.56
▸ CSNK1E P49674 2/20 0.56
▸ GSK3A P49840 2/20 0.56

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
SCHEMBL4156172 0.95 CDK1 (1.00) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755105 0.92 CDK1 (0.90) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755099 0.89 CDK1 (0.76) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755104 0.87 CDK1 (0.74) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755112 0.87 CDK1 (0.75) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755095 0.87 CDK1 (0.88) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755102 0.86 CDK1 (0.80) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755106 0.85 CDK1 (0.92) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12755109 0.85 CDK1 (0.72) CDK1CDK2CCNB2CCNB1CCNB3
SCHEMBL12893413 0.83 CDK1 (0.83) CDK1CDK2CCNB2CCNB1CCNB3

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-8299082-B2 1,2,4-triazolylaminoaryl (heteroaryl) sulfonamide derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-10-30 — — US disclosed
US-20110077249-A1 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-31 — — 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-20110077249-A1 1,2,4-TRIAZOLYLAMINOARYL (HETEROARYL) SULFONAMIDE DERIVATIVES CCNI, CCNA2, CCNA1 CDK1 42/4885CDK2 7/4885CCNB2 12/4885

“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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