SCHEMBL2074508

SCHEMBL2074508

CC(=O)N(C)c1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.76
CDK4 P11802 14/20 0.76
AURKA O14965 6/20 0.76
CDK9 P50750 5/20 0.76
AURKB Q96GD4 5/20 0.76
CDK1 P06493 4/20 0.76
CDK7 P50613 4/20 0.76
CCNE1 P24864 3/20 0.76
PLK1 P53350 1/20 0.68

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
SCHEMBL4799735 0.86 CDK2 (1.00) CDK2CDK4AURKACDK9AURKB
SCHEMBL2076580 0.84 CDK2 (0.74) CDK2CDK4AURKACDK9AURKB
SCHEMBL6157713 0.82 CDK2 (0.74) CDK2CDK4AURKACDK9AURKB
SCHEMBL2289103 0.81 CDK2 (1.00) CDK2CDK4AURKACDK9AURKB
SCHEMBL12589637 0.81 CDK2 (0.82) CDK2CDK4AURKACDK9AURKB
SCHEMBL2288629 0.80 CDK2 (0.70) CDK2CDK4AURKACDK9AURKB
SCHEMBL6157855 0.80 CDK2 (0.71) CDK2CDK4AURKACDK9AURKB
SCHEMBL4170843 0.80 CDK2 (0.77) CDK2CDK4AURKACDK9AURKB
SCHEMBL2283630 0.79 CDK2 (0.58) CDK2CDK4AURKACDK9AURKB
SCHEMBL2287240 0.79 CDK2 (0.58) CDK2CDK4AURKACDK9AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP claimed
CN-1711258-A Pyrimidine compounds CYCLACEL LTD (GB) 2005-12-21 CN claimed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-7897605-B2 Pyrimidine compounds CYCLACEL LIMITED (GB) 2011-03-01 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-20080287439-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2008-11-20 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
US-7432260-B2 Pyrimidine compounds CYCLACEL LIMTED (GB) 2008-10-07 US disclosed
CN-100415740-C Pyrimidine compounds CYCLACEL LTD (GB) 2008-09-03 CN disclosed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 EP disclosed
CN-1711258-A Pyrimidine compounds CYCLACEL LTD (GB) 2005-12-21 CN disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 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 (2 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-20080287439-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK4 7/4885AURKA 123/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK4 7/4885AURKA 123/4885

“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.