SCHEMBL4065615

SCHEMBL4065615

CC[C@H](CO)Nc1nc(Nc2cccc(S(=O)(=O)NCCOc3ccccc3)c2)ncc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.45
CDK2 P24941 13/20 0.45
KDR P35968 12/20 0.45
JAK2 O60674 5/20 0.45
TYK2 P29597 3/20 0.45
JAK3 P52333 3/20 0.45
CDC7 O00311 2/20 0.45
PLK4 O00444 2/20 0.45
CHEK1 O14757 2/20 0.45
AURKA O14965 2/20 0.45
DCLK1 O15075 2/20 0.45
PDPK1 O15530 2/20 0.45
DAPK3 O43293 2/20 0.45
ROCK2 O75116 2/20 0.45
MAP4K4 O95819 2/20 0.45
PAK4 O96013 2/20 0.45
CHEK2 O96017 2/20 0.45
ABL1 P00519 2/20 0.45
ERBB2 P04626 2/20 0.45
NTRK1 P04629 2/20 0.45

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
SCHEMBL4063299 0.91 CDK1 (0.52) CDK1CDK2KDRCDK7CDK9
SCHEMBL4064315 0.91 CDK1 (0.49) CDK1CDK2KDRJAK2TYK2
SCHEMBL4059734 0.90 KDR (0.56) CDK1CDK2KDRJAK2TYK2
SCHEMBL4059397 0.89 CDK1 (0.45) CDK1CDK2KDRJAK2TYK2
SCHEMBL13648760 0.88 CDK1 (0.45) CDK1CDK2KDRJAK2TYK2
SCHEMBL4060061 0.88 CDK1 (0.43) CDK1CDK2KDRJAK2TYK2
SCHEMBL4062377 0.87 TBK1 (0.45) CDK1CDK2KDRJAK2TYK2
SCHEMBL4060268 0.87 CDK1 (0.49) CDK1CDK2KDRJAK2TYK2
SCHEMBL13648759 0.87 TBK1 (0.44) CDK1CDK2KDRJAK2TYK2
SCHEMBL13648765 0.86 CDK1 (0.46) CDK1CDK2KDRJAK2TYK2

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 1/4885KDR 1504/4885

“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.