SCHEMBL3768333

SCHEMBL3768333

CC(O)[C@@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.79
CCNE1 P24864 11/20 0.79
CDK1 P06493 9/20 0.79
CDK9 P50750 7/20 0.79
CDK5 Q00535 7/20 0.79
CDK7 P50613 7/20 0.79
CCNB1 P14635 7/20 0.79
CCNA2 P20248 6/20 0.79
CDK4 P11802 6/20 0.79
CCND1 P24385 6/20 0.79
CCNH P51946 6/20 0.79
DYRK1A Q13627 4/20 0.79
CCNT1 O60563 4/20 0.79
CDK5R1 Q15078 4/20 0.79
CCNK O75909 3/20 0.79
CDK12 Q9NYV4 3/20 0.79
MNAT1 P51948 1/20 0.79
CCNA1 P78396 5/20 0.77
CSNK1A1 P48729 3/20 0.77
GSK3A P49840 1/20 0.77

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
SCHEMBL3768325 1.00 CDK2 (0.79) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL13001908 1.00 CDK2 (0.79) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL13001904 0.94 CDK2 (0.80) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL23683123 0.91 CDK5 (0.82) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL3690866 0.91 CDK2 (0.92) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL29644968 0.88 CDK2 (1.00) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL13001905 0.88 CDK2 (1.00) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL9927174 0.88 CDK2 (1.00) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL13001902 0.88 CDK2 (1.00) CDK2CCNE1CDK1CDK9CDK5
SCHEMBL13811270 0.88 CDK2 (0.81) CDK2CCNE1CDK1CDK9CDK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431583-B2 Use of purine derivatives for the manufacture of a medicament CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-30 US disclosed
US-20100311768-A1 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-09 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-20100311768-A1 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT ENTPD5, HPRT1, P2RY1 CDK2 942/4885CCNE1 1102/4885CDK1 361/4885

“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.