SCHEMBL3581320

SCHEMBL3581320

C[C@@H](O)[C@@H](C)Nc1nc(Cl)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 0.49
CDK2 P24941 18/20 0.49
KDR P35968 14/20 0.49
CCNB1 P14635 2/20 0.49
CCNE1 P24864 2/20 0.49
CA2 P00918 1/20 0.49
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35

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
SCHEMBL13648310 1.00 CDK1 (0.49) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL5151881 1.00 CDK1 (0.49) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL13649094 0.88 MEN1 (0.40) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL13649087 0.85 MEN1 (0.47) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL23759589 0.84 MEN1 (0.42) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL1773659 0.83 KMT2A (0.46) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL13649090 0.83 MEN1 (0.45) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL13649096 0.82 MEN1 (0.44) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL13648305 0.81 MEN1 (0.40) CDK1CDK2KDRCCNB1CCNE1
SCHEMBL14384387 0.81 MEN1 (0.40) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2059511-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-20 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-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-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
EP-1861378-A1 N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-05 EP disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 US disclosed
US-7288547-B2 CDK-inhibitory 2-heteroaryl-pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-10-30 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
WO-2006099974-A1 N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-09-28 WO 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
US-20060111378-A1 Substituted 2-anilinopyrimidines as cell-cycle-kinase or receptor-tyrosine-kinase inhibitors, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-05-25 US disclosed
US-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-08-11 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 (4 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-20060111378-A1 Substituted 2-anilinopyrimidines as cell-cycle-kinase or receptor-tyrosine-kinase inhibitors, their production and use as pharmaceutical agents CDK2, KDR, CDK4 CDK1 5/4885CDK2 1/4885KDR 2/4885
US-20050176743-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
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
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.