SCHEMBL2914545

SCHEMBL2914545

Nc1nc(Sc2ccc([N+](=O)[O-])cc2)c2ncn(CC3(OCP(=O)(O)O)CC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
SLC29A1 Q99808 8/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.33
HBB P68871 1/20 0.33
HPRT1 P00492 2/20 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
SCHEMBL2910504 0.89 CYP2C19 (0.37) CYP1A2SLC29A1CYP3A4CYP2C19HPRT1
SCHEMBL2911646 0.89 CYP1A2 (0.41) CYP1A2SLC29A1CYP3A4CYP2C19HPRT1
SCHEMBL2907738 0.87 HSP90AA1 (0.37) CYP1A2ADORA2ASLC29A1CYP3A4CYP2C19
SCHEMBL6053569 0.87 CYP1A2 (0.40) CYP1A2ADORA2AADORA1SLC29A1LMNA
SCHEMBL2908881 0.87 CYP1A2 (0.40) CYP1A2ADORA2AADORA1SLC29A1LMNA
SCHEMBL2906181 0.85 ABCB11 (0.40) CYP1A2ADORA2AADORA1SLC29A1LMNA
SCHEMBL2983884 0.85 CYP1A2 (0.37) CYP1A2ADORA2AADORA1SLC29A1LMNA
SCHEMBL2983874 0.85 CYP1A2 (0.37) CYP1A2ADORA2AADORA1SLC29A1LMNA
SCHEMBL2907887 0.83 CYP1A2 (0.45) CYP1A2ADORA2AADORA1SLC29A1LMNA
SCHEMBL3001859 0.83 CYP1A2 (0.39) CYP1A2ADORA2AADORA1SLC29A1LMNA

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 11 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 claimed
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-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 claimed
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-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 (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 CYP1A2 2149/4885ADORA2A 390/4885ADORA1 261/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP1A2 1553/4885ADORA2A 119/4885ADORA1 174/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CYP1A2 1553/4885ADORA2A 119/4885ADORA1 174/4885

“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.