SCHEMBL4518608

SCHEMBL4518608

CCOC(=O)N1CCC(Nc2nccc(-c3cnc(C)n3C(C)C)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.58
CDK1 P06493 7/20 0.58
KCNH2 Q12809 3/20 0.55
DGAT1 O75907 1/20 0.51
NOS2 P35228 4/20 0.51
NOS1 P29475 3/20 0.51
NOS3 P29474 1/20 0.51
JUN P05412 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49

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
SCHEMBL4193060 0.91 CDK2 (0.53) CDK2CDK1KCNH2DGAT1JUN
SCHEMBL4500118 0.89 CDK2 (0.62) CDK2CDK1KCNH2JUNMAPK8
SCHEMBL4200743 0.89 CDK2 (0.62) CDK2CDK1KCNH2JUNMAPK8
SCHEMBL4509075 0.88 CDK2 (0.61) CDK2CDK1KCNH2MAPK8MAPK9
SCHEMBL4510681 0.88 CDK2 (0.61) CDK2CDK1KCNH2JUNMAPK8
SCHEMBL4516072 0.87 CDK2 (0.62) CDK2CDK1KCNH2JUNMAPK8
SCHEMBL4355565 0.86 CDK2 (0.49) CDK2CDK1KCNH2DGAT1JUN
SCHEMBL4504747 0.85 CDK2 (0.65) CDK2CDK1KCNH2MAPK8MAPK9
SCHEMBL4505228 0.85 CDK2 (0.65) CDK2CDK1KCNH2MAPK8MAPK9
SCHEMBL4203382 0.84 CDK2 (0.53) CDK2CDK1KCNH2JUNMAPK8

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.