SCHEMBL12842004

SCHEMBL12842004

Cc1nc(NC(=O)CCN2CCN(C)CC2)sc1-c1ccnc(Nc2cccc(N=O)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.51
CDK9 P50750 9/20 0.51
CCNT1 O60563 7/20 0.51
CCNA2 P20248 7/20 0.51
CDK7 P50613 6/20 0.50
CDK1 P06493 5/20 0.50
CCNB1 P14635 4/20 0.50
CCNH P51946 4/20 0.50
CDK4 P11802 8/20 0.49
CCND1 P24385 1/20 0.46
CCND3 P30281 1/20 0.46
CDK6 Q00534 1/20 0.46
CCNA1 P78396 3/20 0.46
ABL1 P00519 2/20 0.46
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
SYK P43405 1/20 0.46
CCNE1 P24864 1/20 0.45

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
SCHEMBL12842041 0.92 CDK2 (0.58) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2075598 0.87 CDK2 (0.65) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL12842003 0.87 CDK2 (0.55) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL14044688 0.85 CDK2 (0.57) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL12842295 0.85 CDK2 (0.53) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL12842301 0.84 CDK2 (0.56) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2075808 0.83 CDK2 (0.51) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL12842044 0.82 CDK2 (0.50) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2076824 0.81 CDK2 (0.57) CDK2CDK9CCNT1CCNA2CDK7
SCHEMBL2074184 0.80 CDK2 (0.63) CDK2CDK9CCNT1CCNA2CDK7

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 5/4885CCNT1 18/4885

“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.