SCHEMBL3260746

SCHEMBL3260746

COC1(Cn2cnc3c(N(C)C)nc(N)nc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AB1 P08238 10/20 0.38
HSP90AA1 P07900 9/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
NOS1 P29475 1/20 0.36
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34

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
SCHEMBL3260742 0.89 CCNE1 (0.40) CCNE1CDK2CDK1CCNB1CYP1A2
SCHEMBL3288028 0.82 POLB (0.36) CCNE1CDK2CDK1CCNB1HSP90AB1
SCHEMBL4274883 0.82 CDK1 (0.35) CCNE1CDK2CDK1CCNB1CYP1A2
SCHEMBL3000249 0.82 PDE4A (0.38) CCNE1CDK2CDK1CCNB1CYP1A2
SCHEMBL3000253 0.82 PDE4A (0.38) CCNE1CDK2CDK1CCNB1CYP1A2
SCHEMBL2912568 0.78 PDE4A (0.35) CCNE1CDK2CDK1CCNB1HSP90AB1
SCHEMBL22224843 0.76 CCNE1 (0.49) CCNE1CDK2CDK1CCNB1CYP1A2
SCHEMBL27595143 0.76 CCNE1 (0.43) CCNE1CDK2CDK1CCNB1CYP1A2
SCHEMBL27580729 0.76 CDK1 (0.46) CCNE1CDK2CDK1CCNB1CYP1A2
SCHEMBL4273048 0.74 FAP (0.47)

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-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 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-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CCNE1 1216/4885CDK2 671/4885CDK1 452/4885

“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.