SCHEMBL2074496

SCHEMBL2074496

Cc1nc(N)sc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.67
CDK4 P11802 11/20 0.67
CDK9 P50750 8/20 0.67
CCNT1 O60563 7/20 0.67
CDK1 P06493 7/20 0.67
CCNB1 P14635 6/20 0.67
CCNA2 P20248 6/20 0.67
CDK7 P50613 6/20 0.67
CCNH P51946 6/20 0.67
CCNE1 P24864 3/20 0.67
AURKA O14965 3/20 0.67
ABL1 P00519 3/20 0.67
GSK3B P49841 3/20 0.67
CDK5 Q00535 3/20 0.67
AURKB Q96GD4 3/20 0.67
CCNB2 O95067 1/20 0.67
CCNE2 O96020 1/20 0.67
CCND1 P24385 1/20 0.67
ABL2 P42684 1/20 0.67
MNAT1 P51948 1/20 0.67

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
SCHEMBL4168106 0.90 CDK2 (0.69) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL4163025 0.89 CDK2 (0.69) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL4160812 0.87 CDK2 (0.64) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL2074426 0.87 CDK2 (0.71) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL4163044 0.87 CDK2 (0.83) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL4173598 0.86 CDK2 (0.62) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL4170730 0.86 CDK2 (0.61) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL6157725 0.85 CDK2 (0.83) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL4163369 0.84 CDK2 (0.67) CDK2CDK4CDK9CCNT1CDK1
SCHEMBL4156792 0.83 CDK2 (0.59) CDK2CDK4CDK9CCNT1CDK1

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 15 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
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 US disclosed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO 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 7/4885CDK9 5/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK4 7/4885CDK9 5/4885

“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.