SCHEMBL4577993

SCHEMBL4577993

CCc1cnc(Nc2ccc(N=S(C)(C)=O)cc2)nc1N[C@@H](CO)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
CDK1 P06493 18/20 0.44
CDK2 P24941 18/20 0.44
KDR P35968 16/20 0.44
CA2 P00918 2/20 0.44
CDK4 P11802 2/20 0.44
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
CCND1 P24385 1/20 0.44
CCNH P51946 1/20 0.44
CCNB1 P14635 2/20 0.43
CCNE1 P24864 2/20 0.43

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
SCHEMBL4579849 0.88 CDK1 (0.44) CDK1CDK2KDRCA2CDK4
SCHEMBL13648651 0.84 CDK2 (0.63) AURKACDK1CDK2KDRCA2
SCHEMBL4018345 0.81 AURKA (0.52) AURKACDK1CDK2KDRCA2
SCHEMBL5173644 0.81 AURKA (0.52) AURKACDK1CDK2KDRCA2
SCHEMBL4580478 0.74 KDR (0.54) AURKACDK1CDK2KDRCA2
SCHEMBL4058417 0.74 CDK1 (0.67) CDK1CDK2KDRCA2CDK4
SCHEMBL4058428 0.74 CDK1 (0.67) CDK1CDK2KDRCA2CDK4
SCHEMBL3931675 0.73 CDK1 (0.56) CDK1CDK2KDRCA2CDK4
SCHEMBL4063258 0.72 CDK1 (0.80) CDK1CDK2KDRCA2CDK4
SCHEMBL13648442 0.72 CDK2 (0.64) AURKACDK1CDK2KDRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456191-B2 N-Aryl-sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-11-25 US disclosed
US-7456191-B2 N-Aryl-sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-11-25 US disclosed
US-20060229325-A1 N-aryl-sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 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-20060229325-A1 N-aryl-sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents CDK2, FLT1, CDK4 AURKA 372/4885CDK1 6/4885CDK2 1/4885

“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.