SCHEMBL4273209

SCHEMBL4273209

CC1CC1(Cn1cnc2c(N)nc(N)nc21)OCO[PH](=O)OCOC1(Cn2cnc3c(N)nc(N)nc32)CC1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46
HSP90AA1 P07900 8/20 0.37
HSP90AB1 P08238 8/20 0.37
AHCY P23526 1/20 0.33
HINT1 P49773 1/20 0.33
PDE8A O60658 1/20 0.32
NT5E P21589 1/20 0.32
HSP90B1 P14625 1/20 0.32

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
SCHEMBL4278199 0.90 CCNE1 (0.34) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL2906676 0.82 CDK1 (0.55) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL3294539 0.81 CDK1 (0.46) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL2906673 0.81 CCNE1 (0.53) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL4279987 0.74 HSP90AB1 (0.40) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL3288487 0.73 HSP90AB1 (0.43) HSP90AA1HSP90AB1HSP90B1
SCHEMBL2911115 0.73 HSP90AB1 (0.43) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL4266236 0.72 CCNE1 (0.34) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL4274883 0.72 CDK1 (0.35) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL2911689 0.72 CDK1 (0.38) CDK1CCNB1CCNE1CDK2HSP90AA1

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-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 US claimed
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 US claimed

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-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CDK1 452/4885CCNB1 772/4885CCNE1 1216/4885

“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.