SCHEMBL4271745

SCHEMBL4271745

Cc1nc(N)nc2c1ncn2CC1(OOP(C)(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 11/20 0.39
HSP90AA1 P07900 10/20 0.39
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC4 P56524 1/20 0.35
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33

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
SCHEMBL4270165 0.89 CCNE1 (0.36) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL4271693 0.87 CCNE1 (0.37) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL4271737 0.84 HSP90AB1 (0.42) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL3290871 0.84 HSP90AB1 (0.40) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL4276470 0.83 POLB (0.55) POLB
SCHEMBL12999109 0.76 HSP90AB1 (0.38) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL4279987 0.75 HSP90AB1 (0.40) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL4265441 0.75 POLB (0.36) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL4270163 0.75 CCNE1 (0.39) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL4270429 0.74 POLB (0.35) HSP90AB1HSP90AA1CDK1CCNB1CCNE1

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 3 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 disclosed
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 disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 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 (2 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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 HSP90AB1 2225/4885HSP90AA1 2638/4885CDK1 548/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HSP90AB1 3304/4885HSP90AA1 4081/4885CDK1 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.