SCHEMBL4059017

SCHEMBL4059017

NS(=O)(=O)c1ccc(Nc2ncc(Br)c(OC3CCNCC3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.51
CDK2 P24941 10/20 0.49
CDK1 P06493 8/20 0.49
CDK7 P50613 6/20 0.49
CDK9 P50750 6/20 0.49
CCNT1 O60563 5/20 0.49
CCNH P51946 5/20 0.49
CCNB1 P14635 5/20 0.49
KDR P35968 5/20 0.48
CA2 P00918 5/20 0.47
IKBKB O14920 3/20 0.46
CHUK O15111 2/20 0.46
AKT1 P31749 1/20 0.46
ROCK1 Q13464 1/20 0.46
CDK4 P11802 3/20 0.46
SYK P43405 2/20 0.46
CCND1 P24385 2/20 0.46
CDK5 Q00535 3/20 0.46
CCNE1 P24864 2/20 0.45
STK4 Q13043 1/20 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
SCHEMBL4062039 0.87 IGF1R (0.48) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL1633008 0.84 CDK1 (0.46) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL1632091 0.83 IKBKB (0.47) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL1631902 0.82 IKBKB (0.48) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL1633545 0.81 JAK2 (0.65) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL1632828 0.80 IKBKB (0.48) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL24477618 0.79 SYK (0.50) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL24477727 0.79 SYK (0.50) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL1633855 0.78 JAK1 (0.48) IGF1RCDK2CDK1CDK7CDK9
SCHEMBL12764372 0.78 IKBKB (0.48) IGF1RCDK2CDK1CDK7CDK9

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 IGF1R 1571/4885CDK2 1/4885CDK1 2/4885

“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.