SCHEMBL973086

SCHEMBL973086

Nc1nc2c(ncn2CCCCCP(=O)(O)CP(=O)(O)O)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNP P00491 13/20 1.00
HPRT1 P00492 7/20 0.83
TK1 P04183 1/20 0.66

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
SCHEMBL9701491 1.00 PNP (1.00) PNPHPRT1TK1
SCHEMBL9702665 1.00 PNP (1.00) PNPHPRT1TK1
SCHEMBL9701538 0.99 PNP (1.00) PNPHPRT1TK1
SCHEMBL9515948 0.91 PNP (1.00) PNPHPRT1TK1
SCHEMBL9702722 0.84 PNP (0.74) PNPHPRT1
SCHEMBL9702718 0.83 PNP (0.76) PNPHPRT1TK1
SCHEMBL6397381 0.83 PNP (0.76) PNPHPRT1TK1
SCHEMBL8175624 0.81 TK1 (0.97) PNPHPRT1TK1
SCHEMBL9053832 0.80 HPRT1 (0.74) PNPHPRT1
SCHEMBL24940649 0.80 PNP (0.80) PNPHPRT1TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP claimed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 US claimed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 US claimed
US-8664195-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2014-03-04 US disclosed
EP-1060182-B1 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2012-12-19 EP disclosed
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8080536-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2011-01-13 US disclosed
US-7816345-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2010-10-19 US disclosed
US-20080125605-A1 Novel Phosphorus-Containing Prodrugs METABASIS THERAPEUTICS, INC. 2008-05-29 US disclosed
US-7351399-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2008-04-01 US disclosed
US-20070249564-A1 Novel phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-10-25 US disclosed
US-7205404-B1 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
EP-1724276-A1 Novel phosphorus-containing prodrugs Metabasis Therapeutics, Inc. (US) 2006-11-22 EP disclosed
EP-1634886-A2 Novel phosphorus-containing prodrug Metabasis Therapeutics, Inc. (US) 2006-03-15 EP disclosed
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds ERION MARK D 2005-12-29 US disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US disclosed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US disclosed
EP-0478292-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP 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 (6 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-20080125605-A1 Novel Phosphorus-Containing Prodrugs PYGL, ALPI, SLC10A1 PNP 14/4885HPRT1 227/4885TK1 120/4885
US-20050288240-A1 Novel-prodrugs for phosphorus-containing compounds HCRTR2, CYP2R1, SLC22A8 PNP 599/4885HPRT1 1531/4885TK1 1217/4885
US-20070249564-A1 Novel phosphorus-containing prodrugs PYGL, ALPI, SLC10A1 PNP 14/4885HPRT1 227/4885TK1 120/4885
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 PNP 14/4885HPRT1 227/4885TK1 120/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK PNP 159/4885HPRT1 1443/4885TK1 354/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 PNP 14/4885HPRT1 227/4885TK1 120/4885

“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.