SCHEMBL4516100

SCHEMBL4516100

Cc1ncc(-c2nc(NC3CCN(S(=O)(=O)CC4CCCN(C(=O)OCc5ccccc5)C4)CC3)ncc2F)n1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.45
CDK1 P06493 8/20 0.45
KCNH2 Q12809 6/20 0.42
LCK P06239 2/20 0.39
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
KAT7 O95251 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37

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
SCHEMBL4206149 0.88 CDK2 (0.49) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4495223 0.86 CDK2 (0.54) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4503801 0.77 CDK2 (0.49) CDK2CDK1CDK4CCND1
SCHEMBL4199373 0.74 CDK2 (0.52) CDK2CDK1KCNH2
SCHEMBL4206968 0.74 CDK2 (0.51) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4195833 0.74 CDK2 (0.61) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4515739 0.74 CDK2 (0.61) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4193060 0.73 CDK2 (0.53) CDK2CDK1KCNH2CDK4
SCHEMBL4507217 0.73 CDK2 (0.49) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4198006 0.72 CDK2 (0.49) CDK2CDK1KCNH2CDK4CCND1

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.