SCHEMBL4064328

SCHEMBL4064328

NS(=O)(=O)c1ccc(Nc2ncc(Br)c(NCC(=O)c3ccccc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.62
CDK1 P06493 10/20 0.58
CDK2 P24941 9/20 0.58
KDR P35968 6/20 0.58
CDK4 P11802 2/20 0.58
CDK7 P50613 2/20 0.58
CDK9 P50750 2/20 0.58
CCNT1 O60563 1/20 0.58
CCND1 P24385 1/20 0.58
CCNH P51946 1/20 0.58
PTK2 Q05397 2/20 0.57
CCNB1 P14635 3/20 0.57
CCNE1 P24864 3/20 0.57
GSK3B P49841 1/20 0.55
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 1/20 0.51
NUAK1 O60285 1/20 0.50
STK16 O75716 1/20 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
SCHEMBL3865701 0.86 CA2 (0.69) CA2CDK1CDK2KDRCDK4
SCHEMBL4068110 0.82 CA2 (0.67) CA2CDK1CDK2KDRCDK4
SCHEMBL5258869 0.82 CDK1 (0.77) CA2CDK1CDK2KDRCDK4
SCHEMBL4064119 0.82 CA2 (0.67) CA2CDK1CDK2KDRCDK4
SCHEMBL4061914 0.80 CA2 (0.61) CA2CDK1CDK2KDRCDK4
SCHEMBL13648324 0.80 CA2 (0.61) CA2CDK1CDK2KDRCDK4
SCHEMBL4061169 0.80 CA2 (0.70) CA2CDK1CDK2KDRCDK4
SCHEMBL3874620 0.80 CA2 (0.64) CA2CDK1CDK2KDRCDK4
SCHEMBL3867151 0.80 CA2 (0.66) CA2CDK1CDK2KDRCDK4
SCHEMBL5257636 0.79 CA2 (0.71) CA2CDK1CDK2KDRCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100480242-C CDK-inhibiting pyrimidine compounds, method for the production thereof and use thereof as medicaments SCHERING AG (DE) 2009-04-22 CN claimed
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.