SCHEMBL4502897

SCHEMBL4502897

Cc1ncc(-c2ccnc(NC3CCN(S(=O)(=O)CCN4CCN(C)CC4)CC3)n2)n1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.53
CDK1 P06493 7/20 0.53
KCNH2 Q12809 5/20 0.53
CDK4 P11802 7/20 0.51
IKBKB O14920 3/20 0.49
CCNB1 P14635 2/20 0.47
CCNA2 P20248 2/20 0.47
CCND1 P24385 2/20 0.47
CCNA1 P78396 2/20 0.47
CCNT1 O60563 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CCNE1 P24864 1/20 0.47
CCND3 P30281 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK7 P50613 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
SCHEMBL4502223 0.89 CDK2 (0.56) CDK2CDK1KCNH2CDK4IKBKB
SCHEMBL4205173 0.88 CDK2 (0.55) CDK2CDK1KCNH2CDK4IKBKB
SCHEMBL4502015 0.86 CDK2 (0.54) CDK2CDK1KCNH2CDK4IKBKB
SCHEMBL4492742 0.85 CDK2 (0.53) CDK2CDK1KCNH2CDK4CCNB1
SCHEMBL4504031 0.85 CDK2 (0.66) CDK2CDK1KCNH2CDK4IKBKB
SCHEMBL4494928 0.85 CDK2 (0.54) CDK2CDK1KCNH2CDK4CCNB1
SCHEMBL4504958 0.84 KCNH2 (0.65) CDK2CDK1KCNH2CDK4IKBKB
SCHEMBL4509148 0.84 IKBKB (0.58) CDK2CDK1KCNH2CDK4IKBKB
SCHEMBL4188863 0.83 CDK2 (0.52) CDK2CDK1KCNH2CDK4IKBKB
SCHEMBL3224250 0.82 CDK2 (0.51) CDK2CDK1KCNH2CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 CDK2 3/4885CDK1 22/4885KCNH2 3454/4885

“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.