SCHEMBL4494755

SCHEMBL4494755

Cc1ncc(-c2nc(NC3CCCCNC3)ncc2F)n1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.52
CCNT1 O60563 2/20 0.52
CCNE1 P24864 2/20 0.52
CDK7 P50613 2/20 0.52
CDK9 P50750 2/20 0.52
CCNH P51946 2/20 0.52
MNAT1 P51948 2/20 0.52
CCNK O75909 1/20 0.52
CDK12 Q9NYV4 1/20 0.52
CDK1 P06493 7/20 0.49
KCNH2 Q12809 8/20 0.48

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
SCHEMBL4195695 0.87 CDK2 (0.52) CDK2CDK1KCNH2
SCHEMBL3225072 0.81 KCNH2 (0.53) CDK2CDK7CDK9CCNKCDK12
SCHEMBL3225078 0.81 KCNH2 (0.53) CDK2CDK7CDK9CCNKCDK12
SCHEMBL4517750 0.79 CDK2 (0.74) CDK2CDK1KCNH2
SCHEMBL3210701 0.79 KCNH2 (0.52) CDK2CDK7CDK9CCNKCDK12
SCHEMBL3217699 0.79 CDK2 (0.56) CDK2CDK1KCNH2
SCHEMBL3210714 0.79 KCNH2 (0.52) CDK2CDK7CDK9CCNKCDK12
SCHEMBL4196604 0.79 CDK2 (0.53) CDK2CCNT1CCNE1CDK7CDK9
SCHEMBL3217705 0.79 CDK2 (0.56) CDK2CDK1KCNH2
SCHEMBL4193323 0.79 CDK2 (0.53) CDK2CCNT1CCNE1CDK7CDK9

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 3/4885CCNT1 11/4885CCNE1 17/4885

“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.