SCHEMBL4063392

SCHEMBL4063392

NS(=O)(=O)c1ccc(Nc2ncc(Br)c(NCCn3cc[nH]c3=O)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.57
CDK1 P06493 7/20 0.51
CDK2 P24941 7/20 0.51
KDR P35968 5/20 0.51
CDK9 P50750 4/20 0.51
CDK7 P50613 3/20 0.51
CDK4 P11802 3/20 0.51
CCNT1 O60563 3/20 0.51
CCNH P51946 2/20 0.51
CCND1 P24385 2/20 0.51
PTK2 Q05397 2/20 0.51
CCNE1 P24864 3/20 0.50
CCNB1 P14635 2/20 0.50
IGF1R P08069 1/20 0.47
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
NUAK1 O60285 2/20 0.43
STK16 O75716 2/20 0.43

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
SCHEMBL3873057 0.80 CA2 (0.60) CA2CDK1CDK2KDRCDK9
SCHEMBL3873384 0.79 CA2 (0.62) CA2CDK1CDK2KDRCDK9
SCHEMBL4058944 0.79 CA2 (0.57) CA2CDK1CDK2KDRCDK9
SCHEMBL4061169 0.78 CA2 (0.70) CA2CDK1CDK2KDRCDK9
SCHEMBL3873050 0.78 STK17A (0.73) CA2CDK1CDK2KDRCDK9
SCHEMBL4062164 0.77 NTRK1 (0.63) CA2CDK1CDK2KDRCDK9
SCHEMBL3865620 0.77 STK17A (0.68) CA2CDK1CDK2KDRCDK9
Hydrochloric Acid SCHEMBL3869305 0.77 STK17A (0.71) CA2CDK1CDK2KDRCDK9
SCHEMBL3865280 0.76 CA2 (0.58) CA2CDK1CDK2KDRCDK9
SCHEMBL4067086 0.76 CA2 (0.66) CA2CDK1CDK2KDRCDK9

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.