SCHEMBL4063385

SCHEMBL4063385

C#CCNc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 1.00
CDK1 P06493 13/20 0.70
CDK2 P24941 12/20 0.70
CCNB1 P14635 3/20 0.70
CCNE1 P24864 3/20 0.70
KDR P35968 9/20 0.63
CDK4 P11802 2/20 0.63
CDK7 P50613 2/20 0.63
CDK9 P50750 2/20 0.63
CCNT1 O60563 1/20 0.63
CCND1 P24385 1/20 0.63
CCNH P51946 1/20 0.63
PTK2 Q05397 3/20 0.62
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
IGF1R P08069 2/20 0.52
AURKA O14965 2/20 0.50
AURKB Q96GD4 2/20 0.50
STK17A Q9UEE5 2/20 0.50

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
SCHEMBL13648578 0.88 CA2 (0.79) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL4018940 0.87 CA2 (0.78) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL4058941 0.87 CA2 (0.78) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL4068157 0.87 CA2 (0.78) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL4019284 0.87 CA2 (0.78) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL4063888 0.87 CA2 (0.77) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL14367824 0.86 CA2 (0.76) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL3867656 0.85 CDK1 (0.77) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL14498931 0.84 CA2 (0.72) CA2CDK1CDK2CCNB1CCNE1
SCHEMBL5257636 0.84 CA2 (0.71) CA2CDK1CDK2CCNB1CCNE1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP claimed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 CA2 4201/4885CDK1 2/4885CDK2 1/4885

“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.