SCHEMBL3982767

SCHEMBL3982767

C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(F)c(NC(=O)N=S(C)(C)=O)c2)ncc1Br

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 0.61
CDK2 P24941 20/20 0.61
KDR P35968 16/20 0.61
CCNB1 P14635 2/20 0.56
CCNE1 P24864 2/20 0.56
CA2 P00918 1/20 0.52

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
SCHEMBL3985995 0.90 CDK1 (0.66) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3983693 0.90 CDK1 (0.61) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3983541 0.88 CDK1 (0.68) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3983826 0.87 CDK1 (0.70) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3983687 0.86 CDK1 (0.70) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3982768 0.86 CDK1 (0.58) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3986947 0.86 CDK1 (0.60) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3979909 0.81 CDK1 (0.56) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3984442 0.81 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3983313 0.79 CDK1 (0.61) 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
EP-2059511-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-20 EP disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 US disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 US disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 US disclosed
WO-2008025556-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 WO 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-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors CABLES1, CKS2, CDK2AP1 CDK1 6/4885CDK2 4/4885KDR 2279/4885

“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.