SCHEMBL4018940

SCHEMBL4018940

C#CCNc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.78
AURKA O14965 2/20 0.62
AURKB Q96GD4 1/20 0.62
CDK2 P24941 7/20 0.56
CCNA2 P20248 2/20 0.56
CA1 P00915 5/20 0.54
CA9 Q16790 5/20 0.54
CA12 O43570 3/20 0.54
CDK1 P06493 5/20 0.53
CCNB1 P14635 4/20 0.53
CDK9 P50750 4/20 0.53
CCNE1 P24864 3/20 0.53
CCNT1 O60563 3/20 0.53
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
NTRK1 P04629 1/20 0.52
CDK7 P50613 3/20 0.51

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
SCHEMBL4063385 0.87 CA2 (1.00) CA2AURKAAURKBCDK2CA1
SCHEMBL13648578 0.87 CA2 (0.79) CA2AURKAAURKBCDK2CCNA2
SCHEMBL1474323 0.87 CA2 (0.62) CA2AURKAAURKBCDK2CCNA2
SCHEMBL4058941 0.86 CA2 (0.78) CA2AURKAAURKBCDK2CA1
SCHEMBL4019284 0.86 CA2 (0.78) CA2AURKAAURKBCDK2CCNA2
SCHEMBL4068157 0.86 CA2 (0.78) CA2AURKAAURKBCDK2CCNA2
SCHEMBL4970405 0.84 CA2 (0.59) CA2AURKAAURKBCDK2CCNA2
SCHEMBL1476160 0.83 SYK (0.62) CA2AURKAAURKBCDK2CCNA2
SCHEMBL1474577 0.83 AURKA (0.60) CA2AURKAAURKBCDK2CCNA2
SCHEMBL13648557 0.82 AURKA (0.68) CA2AURKACDK2CDK1CCNB1

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 14 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
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-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-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
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 4201/4885AURKA 103/4885AURKB 77/4885

“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.