SCHEMBL2911713

SCHEMBL2911713

Nc1nc(N2CCCC2)c2ncn(CC3(OCO[PH](=O)OCOC4(Cn5cnc6c(N7CCCC7)nc(N)nc65)CC4)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.44
TLR7 Q9NYK1 5/20 0.44
HRH4 Q9H3N8 1/20 0.41
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 1/20 0.36
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CNR2 P34972 3/20 0.31
LMNA P02545 1/20 0.31
NOS1 P29475 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
PHLPP2 Q6ZVD8 1/20 0.31
POLB P06746 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
SCHEMBL4277756 0.91 HDAC1 (0.45) TLR9TLR7HRH4HDAC1HDAC2
SCHEMBL3288487 0.84 HSP90AB1 (0.43) HDAC1
SCHEMBL4266236 0.83 CCNE1 (0.34) HDAC1CDK1CCNB1CCNE1CDK2
SCHEMBL4279987 0.83 HSP90AB1 (0.40) CDK1CCNB1CCNE1CDK2CYP2C19
SCHEMBL2911711 0.82 TLR9 (0.44) TLR9TLR7HRH4HDAC1HDAC2
SCHEMBL2911115 0.82 HSP90AB1 (0.43) CDK1CCNB1CCNE1CDK2
SCHEMBL3288374 0.81 TLR9 (0.43) TLR9TLR7HRH4HDAC1HDAC2
SCHEMBL2911689 0.81 CDK1 (0.38) TLR9TLR7CDK1CCNB1CCNE1
SCHEMBL4274883 0.81 CDK1 (0.35) CDK1CCNB1CCNE1CDK2CYP1A2
SCHEMBL4267877 0.80 CDK2 (0.35) TLR7HDAC1HDAC2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP disclosed
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
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
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-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-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
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 (4 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 TLR9 1302/4885TLR7 1997/4885HRH4 3793/4885
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP TLR9 1518/4885TLR7 2729/4885HRH4 4161/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP TLR9 1518/4885TLR7 2729/4885HRH4 4161/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP TLR9 1518/4885TLR7 2729/4885HRH4 4161/4885

“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.