SCHEMBL2074499

SCHEMBL2074499

Cc1nc(C)c(-c2ccnc(Nc3cccc(COCCN4CCOCC4)c3)n2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.57
CDK4 P11802 13/20 0.57
AURKA O14965 6/20 0.57
AURKB Q96GD4 6/20 0.57
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
CCNE1 P24864 2/20 0.51
CDK9 P50750 7/20 0.50
CDK1 P06493 5/20 0.50
CCNT1 O60563 3/20 0.50
CDK7 P50613 3/20 0.50
CCNA2 P20248 2/20 0.50
CCNB1 P14635 1/20 0.50
CCNH P51946 1/20 0.50
JAK2 O60674 2/20 0.48
JAK3 P52333 2/20 0.48
PLK1 P53350 1/20 0.48
FLT3 P36888 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
CDC7 O00311 1/20 0.47

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
SCHEMBL4174918 0.89 ABL1 (0.66) CDK2CDK4AURKAAURKBABL1
SCHEMBL4162420 0.87 CDK2 (0.64) CDK2CDK4AURKAAURKBABL1
SCHEMBL6165767 0.80 CDK2 (0.61) CDK2CDK4AURKAAURKBCCNE1
SCHEMBL4156961 0.79 CDK2 (0.80) CDK2CDK4AURKAAURKBABL1
SCHEMBL4166368 0.78 CDK2 (0.74) CDK2CDK4AURKAAURKBABL1
SCHEMBL1806918 0.76 CDK2 (0.74) CDK2CDK4AURKAAURKBCCNE1
SCHEMBL4169340 0.76 CDK2 (0.74) CDK2CDK4AURKAAURKBABL1
SCHEMBL4158569 0.76 CDK2 (0.62) CDK2CDK4AURKAAURKBABL1
SCHEMBL4158463 0.75 CDK2 (0.65) CDK2CDK4AURKAAURKBABL1
SCHEMBL12773553 0.74 CDK2 (0.70) CDK2CDK4AURKAAURKBABL1

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
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
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 7/4885AURKA 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.