SCHEMBL4580255

SCHEMBL4580255

C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(N=S(C)(C)=O)cc2)ncc1Br

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 0.74
CDK2 P24941 20/20 0.74
KDR P35968 18/20 0.74
CCNB1 P14635 5/20 0.67
CCNE1 P24864 5/20 0.67
CDK4 P11802 3/20 0.55
CCNT1 O60563 1/20 0.47
CCND1 P24385 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47
MNAT1 P51948 1/20 0.47
CDK3 Q00526 1/20 0.47

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
SCHEMBL14112842 0.87 CDK1 (0.78) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3988091 0.86 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3931191 0.85 CDK1 (1.00) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3989325 0.85 CDK1 (0.70) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14140889 0.84 CDK1 (0.75) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14112802 0.82 CDK1 (0.72) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14367848 0.82 CDK1 (0.69) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL5153635 0.82 CDK1 (0.69) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14163448 0.81 CDK1 (0.74) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14112795 0.81 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1

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 5 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-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
EP-1705177-A1 N-aryl-sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-27 EP 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 CDK1 6/4885CDK2 1/4885KDR 11/4885

“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.