SCHEMBL13648484

SCHEMBL13648484

C#CCNc1nc(Nc2cccc(SC)c2)ncc1Br

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.71
CDK2 P24941 2/20 0.71
CCNB1 P14635 1/20 0.71
CCNE1 P24864 1/20 0.71
CA2 P00918 1/20 0.57
SYK P43405 3/20 0.49
IGF1R P08069 4/20 0.46
PTK2 Q05397 2/20 0.44
KDR P35968 2/20 0.43
BMPR1B O00238 1/20 0.43
STK25 O00506 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
RIPK2 O43353 1/20 0.43
JAK2 O60674 1/20 0.43
STK10 O94804 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 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
SCHEMBL4026089 0.87 CDK1 (0.65) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4027058 0.86 CDK1 (0.73) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL2937221 0.81 KDR (0.54) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4063888 0.81 CA2 (0.77) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL13897547 0.81 CDK2 (0.68) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4021357 0.79 CDK1 (0.72) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL2938043 0.79 SYK (0.51) CDK1CDK2CCNB1CCNE1SYK
SCHEMBL13897640 0.77 CDK1 (0.63) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL4068009 0.77 CDK1 (0.63) CDK1CDK2CCNB1CCNE1CA2
SCHEMBL13897485 0.77 CDK1 (0.63) CDK1CDK2CCNB1CCNE1CA2

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 8 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-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 CDK1 2/4885CDK2 1/4885CCNB1 15/4885

“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.