SCHEMBL4068009

SCHEMBL4068009

C#CCNc1nc(Nc2cccc(S(=O)(=O)C(F)(F)F)c2)ncc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.63
CDK2 P24941 4/20 0.63
CCNB1 P14635 1/20 0.63
CCNE1 P24864 1/20 0.63
CA2 P00918 1/20 0.62
PTK2 Q05397 4/20 0.49
NTRK1 P04629 4/20 0.49
PDPK1 O15530 4/20 0.49
TYK2 P29597 3/20 0.49
KDR P35968 2/20 0.49
SYK P43405 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DCLK1 O15075 1/20 0.49
MAPK13 O15264 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 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
SCHEMBL4063888 0.88 CA2 (0.77) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4021357 0.86 CDK1 (0.72) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4065466 0.83 CDK1 (0.62) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4059026 0.81 CDK1 (0.59) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4026089 0.80 CDK1 (0.65) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL13648484 0.77 CDK1 (0.71) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4063385 0.77 CA2 (1.00) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL13897547 0.76 CDK2 (0.68) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL13897631 0.73 CDK1 (0.65) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4025867 0.73 CDK1 (0.67) CDK1CDK2CCNB1CCNE1CA2

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 CDK1 2/4885CDK2 1/4885CCNB1 15/4885

“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.