SCHEMBL4516500

SCHEMBL4516500

Cc1ncc(-c2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)n1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.55
BACE1 P56817 7/20 0.55
CDK2 P24941 6/20 0.54
CDK4 P11802 1/20 0.54
CDK1 P06493 3/20 0.50
KCNH2 Q12809 1/20 0.49
CXCR4 P61073 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPK10 P53779 1/20 0.47
IRAK4 Q9NWZ3 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
SCHEMBL4518313 0.91 CDK2 (0.52) ACHEBACE1CDK2CDK4CDK1
SCHEMBL4200806 0.85 CDK2 (0.54) CDK2CDK4CDK1KCNH2
SCHEMBL4504031 0.84 CDK2 (0.66) CDK2CDK4CDK1KCNH2MAPK10
SCHEMBL4517599 0.84 CDK2 (0.56) CDK2CDK4CDK1KCNH2
SCHEMBL4199373 0.83 CDK2 (0.52) ACHEBACE1CDK2CDK1KCNH2
SCHEMBL4193060 0.83 CDK2 (0.53) CDK2CDK4CDK1KCNH2MAPK10
SCHEMBL4200743 0.82 CDK2 (0.62) CDK2CDK4CDK1KCNH2MAPK10
SCHEMBL4509075 0.81 CDK2 (0.61) CDK2CDK4CDK1KCNH2
SCHEMBL4516072 0.80 CDK2 (0.62) CDK2CDK4CDK1KCNH2MAPK10
SCHEMBL3221422 0.80 CDK2 (0.58) CDK2CDK4CDK1KCNH2MAPK10

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 ACHE 4677/4885BACE1 4490/4885CDK2 3/4885

“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.