SCHEMBL4577979

SCHEMBL4577979

CS(C)(=O)=Nc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.71
CDK1 P06493 7/20 0.71
KDR P35968 4/20 0.71
IGF1R P08069 5/20 0.67
GSK3B P49841 1/20 0.61
ALK Q9UM73 3/20 0.59
CDK19 Q9BWU1 1/20 0.59
MAPK8 P45983 1/20 0.53
CCNB1 P14635 1/20 0.52
CCNE1 P24864 1/20 0.52
CHEK1 O14757 1/20 0.50
NTRK2 Q16620 1/20 0.50
CDK4 P11802 1/20 0.49
SYK P43405 1/20 0.49

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
SCHEMBL4580117 0.85 CDK1 (0.52) CDK2CDK1KDRIGF1RGSK3B
SCHEMBL3938954 0.83 CDK1 (1.00) CDK2CDK1KDRIGF1RGSK3B
SCHEMBL4459525 0.82 IGF1R (1.00) CDK2CDK1KDRIGF1RGSK3B
SCHEMBL4578774 0.81 CDK1 (0.74) CDK2CDK1KDRCCNB1CCNE1
SCHEMBL5258869 0.80 CDK1 (0.77) CDK2CDK1KDRIGF1RGSK3B
SCHEMBL5259656 0.80 CDK1 (0.76) CDK2CDK1KDRIGF1RGSK3B
SCHEMBL14367833 0.80 IGF1R (0.68) CDK2CDK1KDRIGF1RGSK3B
SCHEMBL4578234 0.79 KDR (0.74) CDK2CDK1KDR
SCHEMBL5261726 0.78 IGF1R (0.85) CDK2CDK1KDRIGF1RGSK3B
SCHEMBL12726459 0.77 CDK1 (0.65) CDK2CDK1KDRIGF1RGSK3B

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 6 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
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-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

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 CDK2 1/4885CDK1 6/4885KDR 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.