SCHEMBL4060503

SCHEMBL4060503

CCOCCOCCOc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.63
CDK1 P06493 9/20 0.63
KDR P35968 8/20 0.63
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
CA9 Q16790 4/20 0.53
CCNA2 P20248 3/20 0.53
CCNA1 P78396 3/20 0.53
CDK7 P50613 3/20 0.52
CDK9 P50750 3/20 0.52
CDK4 P11802 2/20 0.52
CCNT1 O60563 2/20 0.52
CCNH P51946 2/20 0.52
CCND1 P24385 1/20 0.52
CCNB1 P14635 3/20 0.51
CCNE1 P24864 2/20 0.51
PTK2 Q05397 1/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 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
SCHEMBL4068152 0.83 CDK2 (0.58) CDK2CDK1KDRCA2CA1
SCHEMBL13648547 0.83 KDR (0.52) CDK2CDK1KDRCCNA2CCNA1
SCHEMBL24477734 0.81 CDK2 (0.60) CDK2CDK1KDRCA2CA1
SCHEMBL4066333 0.80 CDK2 (0.56) CDK2CDK1KDRCA2CA1
SCHEMBL3933672 0.77 CDK1 (1.00) CDK2CDK1KDRCCNB1CCNE1
SCHEMBL4022816 0.77 CDK2 (0.55) CDK2CDK1KDRCA2CA1
SCHEMBL4018335 0.76 CDK1 (0.62) CDK2CDK1KDRCA2CA1
SCHEMBL25665758 0.73 CDK2 (0.60) CDK2CDK1KDRCA2CA1
SCHEMBL13655123 0.73 CA2 (0.60) CDK2CDK1KDRCA2CA1
SCHEMBL5257636 0.73 CA2 (0.71) CDK2CDK1KDRCA2CA1

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 CDK2 1/4885CDK1 2/4885KDR 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.