SCHEMBL2075944

SCHEMBL2075944

Cc1nc(C)c(-c2ccnc(Nc3ccc(NC(=O)CN4CCOCC4)cc3)n2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.68
CDK4 P11802 11/20 0.68
AURKA O14965 10/20 0.68
AURKB Q96GD4 9/20 0.68
CDK9 P50750 10/20 0.61
CDK1 P06493 7/20 0.61
CDK7 P50613 6/20 0.61
CCNE1 P24864 3/20 0.58
PLK1 P53350 1/20 0.58
JAK2 O60674 3/20 0.56
CCNT1 O60563 2/20 0.56
JAK1 P23458 2/20 0.56
JAK3 P52333 2/20 0.56
CDC7 O00311 1/20 0.56
PLK4 O00444 1/20 0.56
CIT O14578 1/20 0.56
CHEK1 O14757 1/20 0.56
GAK O14976 1/20 0.56
EPHB6 O15197 1/20 0.56
PDPK1 O15530 1/20 0.56

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
SCHEMBL2076774 0.92 CDK2 (0.61) CDK2CDK4AURKAAURKBCDK9
SCHEMBL4166368 0.84 CDK2 (0.74) CDK2CDK4AURKAAURKBCDK9
SCHEMBL2074206 0.82 CDK2 (0.69) CDK2CDK4AURKAAURKBCDK9
SCHEMBL2073867 0.81 CDK2 (1.00) CDK2CDK4AURKAAURKBCDK9
SCHEMBL2076610 0.81 CDK2 (0.60) CDK2CDK4AURKAAURKBCDK9
SCHEMBL4903416 0.81 JAK2 (0.62) JAK2JAK1JAK3PLK4CIT
SCHEMBL4159243 0.81 CDK2 (0.69) CDK2CDK4AURKAAURKBCDK9
SCHEMBL14348363 0.80 JAK2 (0.64) JAK2JAK1JAK3TYK2
SCHEMBL4899494 0.80 SYK (0.57) JAK2JAK1JAK3EGFRTYK2
SCHEMBL2076084 0.80 CDK2 (0.58) CDK2CDK4AURKAAURKBCDK9

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 1/4885CDK4 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.