SCHEMBL5095331

SCHEMBL5095331

CCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CC4)cc3)n2)n1CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.59
CDK4 P11802 7/20 0.56
CDK1 P06493 3/20 0.45
CCNT1 O60563 1/20 0.45
CCNB1 P14635 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CCND3 P30281 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 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
SCHEMBL5095321 0.90 CDK2 (0.54) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6105414 0.90 CDK2 (0.74) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL5102535 0.86 CDK2 (0.52) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6417893 0.84 CDK2 (0.63) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL5098707 0.83 CDK2 (0.59) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL5099655 0.82 CDK2 (0.50) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL5108318 0.81 CDK2 (0.70) CDK2CDK4CDK1
SCHEMBL6595205 0.81 CDK2 (0.58) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6105941 0.81 CDK2 (0.71) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL4026694 0.79 CDK2 (0.64) CDK2CDK4CDK1CCNT1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442697-B2 4-imidazolyl substituted pyrimidine derivatives with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-10-28 US claimed
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity MOTOROLA MOBILITY LLC 2006-04-06 US claimed

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-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity CCNI, CDK3, CDK4 CDK2 6/4885CDK4 3/4885CDK1 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.