SCHEMBL4492102

SCHEMBL4492102

Cc1ncc(-c2nc(NC3CCN(C(=O)O)CC3)ncc2Cl)n1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.49
MAPK8 P45983 11/20 0.49
MAPK9 P45984 10/20 0.49
JUN P05412 7/20 0.49
CDK1 P06493 7/20 0.49
MAPK10 P53779 8/20 0.46
KCNH2 Q12809 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND3 P30281 1/20 0.42
CDK6 Q00534 1/20 0.42

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
SCHEMBL4515739 0.88 CDK2 (0.61) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL4495234 0.84 CCNE1 (0.61) CDK2CDK1CDK4CCND1CCND3
SCHEMBL4202745 0.83 MAPK8 (0.51) CDK2MAPK8MAPK9JUNCDK1
SCHEMBL4200743 0.81 CDK2 (0.62) CDK2MAPK8MAPK9JUNCDK1
SCHEMBL4491979 0.79 CDK2 (0.45) CDK2MAPK8MAPK9JUNCDK1
SCHEMBL4209665 0.77 CDK2 (0.44) CDK2MAPK8MAPK9JUNCDK1
SCHEMBL4490411 0.77 CDK2 (0.57) CDK2CDK1KCNH2CDK4CCND1
SCHEMBL1448480 0.77 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL1447687 0.77 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL4514561 0.76 CDK2 (0.46) 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 3/4885MAPK8 726/4885MAPK9 308/4885

“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.