SCHEMBL4023231

SCHEMBL4023231

C#CCOc1nc(Nc2ccc(C(C)=O)cc2)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.49
CDK1 P06493 11/20 0.49
KDR P35968 9/20 0.49
CHEK1 O14757 2/20 0.46
NTRK2 Q16620 1/20 0.46
CA2 P00918 1/20 0.45
CCNB1 P14635 5/20 0.45
CCNE1 P24864 3/20 0.45
GSK3B P49841 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FLT3 P36888 1/20 0.41
EGFR P00533 1/20 0.40
BTK Q06187 1/20 0.40
CCNA2 P20248 2/20 0.39
CCNA1 P78396 2/20 0.39
CCNB2 O95067 1/20 0.39

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
SCHEMBL6451895 0.90 CDK2 (0.48) CDK2CDK1KDRCHEK1NTRK2
SCHEMBL3866210 0.87 RAB9A (0.52) CDK2CDK1KDRCHEK1NTRK2
SCHEMBL13897680 0.85 CDK1 (0.46) CDK2CDK1KDRCHEK1NTRK2
SCHEMBL4018601 0.84 CDK1 (0.50) CDK2CDK1KDRCA2CCNB1
SCHEMBL13897807 0.84 CDK1 (0.47) CDK2CDK1KDRCHEK1NTRK2
SCHEMBL13897693 0.83 CDK1 (0.46) CDK2CDK1KDRCHEK1NTRK2
SCHEMBL13897805 0.82 CDK1 (0.46) CDK2CDK1KDRCHEK1NTRK2
SCHEMBL4020164 0.82 CDK1 (0.48) CDK2CDK1KDRCA2CCNB1
SCHEMBL13897808 0.81 GSK3B (0.46) CDK2CDK1KDRCHEK1NTRK2
SCHEMBL13897567 0.81 CDK1 (0.48) CDK2CDK1KDRCA2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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
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.