SCHEMBL4274883

SCHEMBL4274883

CN(C)c1nc(N)nc2c1ncn2CC1(OCO[PH](=O)OCOC2(Cn3cnc4c(N(C)C)nc(N)nc43)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
HSP90AB1 P08238 12/20 0.33
HSP90AA1 P07900 11/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HSP90B1 P14625 1/20 0.31
TRAP1 Q12931 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4279987 0.86 HSP90AB1 (0.40) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL3288487 0.85 HSP90AB1 (0.43) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL2911115 0.84 HSP90AB1 (0.43) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL4266236 0.84 CCNE1 (0.34) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL2911689 0.84 CDK1 (0.38) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL3260746 0.82 CCNE1 (0.41) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL3288028 0.82 POLB (0.36) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL3260742 0.82 CCNE1 (0.40) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL4267877 0.81 CDK2 (0.35) CDK1CCNB1CCNE1CDK2HSP90AB1
SCHEMBL2911713 0.81 TLR9 (0.44) CDK1CCNB1CCNE1CDK2CYP1A2

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 5 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
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US claimed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 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 (3 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 CDK1 548/4885CCNB1 1400/4885CCNE1 1095/4885
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
US-20040063668-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.