SCHEMBL2076359

SCHEMBL2076359

Cc1nc(CN)sc1-c1ccnc(Nc2ccc(F)c([N+](=O)[O-])c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.60
CDK4 P11802 15/20 0.60
CDK1 P06493 4/20 0.55
CDK7 P50613 4/20 0.55
CDK9 P50750 4/20 0.55
AURKA O14965 3/20 0.55
CCNT1 O60563 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNA2 P20248 2/20 0.55
CCNH P51946 2/20 0.55
AURKB Q96GD4 2/20 0.55
CCNE1 P24864 2/20 0.55
CCNB2 O95067 1/20 0.55
CCNE2 O96020 1/20 0.55
ABL1 P00519 1/20 0.55
CCND1 P24385 1/20 0.55
ABL2 P42684 1/20 0.55
GSK3B P49841 1/20 0.55
MNAT1 P51948 1/20 0.55
CDK5 Q00535 1/20 0.55

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
SCHEMBL4799604 0.86 CDK2 (0.61) CDK2CDK4CDK1CDK7CDK9
SCHEMBL6363759 0.86 CDK2 (0.70) CDK2CDK4CDK1CDK7CDK9
SCHEMBL27720290 0.84 CDK2 (0.55) CDK2CDK4CDK1CDK7CDK9
SCHEMBL28772325 0.81 CDK2 (0.74) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2087794 0.80 CDK2 (0.55) CDK2CDK4CDK1CDK7CDK9
SCHEMBL27720287 0.78 CDK2 (0.74) CDK2CDK4CDK1CDK7CDK9
SCHEMBL27720262 0.77 CDK2 (0.76) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2286557 0.77 CDK2 (0.56) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4801897 0.77 CDK2 (0.69) CDK2CDK4CDK1CDK7CDK9
SCHEMBL6158465 0.77 CDK2 (0.75) CDK2CDK4CDK1CDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 7/4885CDK1 4/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 CDK2 1/4885CDK4 7/4885CDK1 4/4885

“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.