SCHEMBL2073774

SCHEMBL2073774

CNc1nc(C)c(-c2ccnc(Nc3cccc(CNS(=O)(=O)C(F)(F)F)c3)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.64
CDK9 P50750 14/20 0.64
CCNA2 P20248 13/20 0.64
CCNT1 O60563 13/20 0.64
CDK1 P06493 11/20 0.64
CDK7 P50613 11/20 0.64
CCNB1 P14635 10/20 0.64
CCNH P51946 10/20 0.64
CCNA1 P78396 8/20 0.64
CDK4 P11802 7/20 0.61
PLK1 P53350 1/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
GSK3B P49841 1/20 0.49

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
SCHEMBL4166186 0.92 CDK2 (0.56) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL4160864 0.90 CDK2 (0.62) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2075607 0.89 CDK2 (0.68) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL4168913 0.89 CDK2 (0.58) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2087333 0.83 CDK2 (0.55) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2073966 0.82 CDK2 (0.68) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2075737 0.81 CDK2 (0.72) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL6156653 0.81 CDK2 (0.72) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL2075605 0.81 CDK2 (0.76) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL4157501 0.81 CDK2 (0.59) CDK2CDK9CCNA2CCNT1CDK1

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 14 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
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US 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
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
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 1/4885CDK9 5/4885CCNA2 34/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK9 5/4885CCNA2 34/4885

“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.