SCHEMBL3581267

SCHEMBL3581267

CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 20/20 1.00
CDK2 P24941 20/20 1.00
KDR P35968 16/20 1.00
CCNB1 P14635 2/20 0.71
CCNE1 P24864 2/20 0.71
CA2 P00918 1/20 0.63

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
SCHEMBL3931398 0.88 CDK1 (1.00) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL13648309 0.87 CDK1 (0.82) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL4057646 0.87 CDK1 (0.82) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL4582360 0.85 CDK1 (0.78) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL4578774 0.84 CDK1 (0.74) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3934409 0.84 CDK1 (1.00) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3943925 0.83 CDK1 (1.00) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3984442 0.82 CDK1 (0.71) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL3983826 0.82 CDK1 (0.70) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14112868 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051380-A1 SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 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-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS CDK2, CDK1, FLT1 CDK1 2/4885CDK2 1/4885KDR 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.