SCHEMBL4580117

SCHEMBL4580117

Cc1cccc(Nc2nc(Nc3ccc(N=S(C)(C)=O)cc3)ncc2Br)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.52
CDK2 P24941 8/20 0.52
KDR P35968 7/20 0.52
IGF1R P08069 5/20 0.51
ALK Q9UM73 2/20 0.46
GSK3B P49841 1/20 0.44
PTK2 Q05397 2/20 0.43
CDK19 Q9BWU1 1/20 0.43
CA2 P00918 2/20 0.42
SYK P43405 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41

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
SCHEMBL4577979 0.85 CDK2 (0.71) CDK1CDK2KDRIGF1RALK
SCHEMBL4578774 0.76 CDK1 (0.74) CDK1CDK2KDRCA2
SCHEMBL4578234 0.74 KDR (0.74) CDK1CDK2KDR
SCHEMBL7243015 0.73 IGF1R (0.56) CDK1CDK2KDRIGF1RALK
SCHEMBL24773979 0.73 EGFR (0.51)
SCHEMBL4578960 0.72 CDK1 (0.46) CDK1CDK2KDRALKCA2
SCHEMBL14000044 0.72 AURKA (0.46) CDK1CDK2KDRALKPTK2
SCHEMBL4580306 0.72 CDK1 (0.44) CDK1CDK2KDRIGF1RALK
SCHEMBL4578964 0.72 AURKA (0.46) CDK1CDK2KDRALKPTK2
SCHEMBL14000045 0.72 CDK1 (0.44) CDK1CDK2KDRIGF1RALK

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
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 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.