Nitrobenzylmercaptopurine Ribonucleoside

Nitrobenzylmercaptopurine Ribonucleoside

SCHEMBL290702

O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 13/20 1.00
CYP3A4 P08684 2/20 1.00
TP53 P04637 1/20 1.00
HIF1A Q16665 1/20 1.00
ABCC4 O15439 1/20 1.00
SLC28A3 Q9HAS3 1/20 1.00
BLM P54132 1/20 1.00
LMNA P02545 1/20 0.77
RAB9A P51151 1/20 0.77
PKM P14618 1/20 0.77
HPGD P15428 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
STAT6 P42226 1/20 0.75

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
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL1321676 1.00 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL7617534 1.00 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
Nitrobenzylmercaptopurine Ribonucleoside SCHEMBL29374837 1.00 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL1763081 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL29784689 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL20579724 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
SCHEMBL1322160 0.87 SLC29A1 (1.00) SLC29A1CYP3A4TP53HIF1AABCC4
6-Benzylthioinosine SCHEMBL7617372 0.86 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL15427008 0.86 SLC29A1 (1.00) SLC29A1STAT6
6-Benzylthioinosine SCHEMBL7617380 0.86 SLC29A1 (1.00) SLC29A1STAT6

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 480 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190282580-A1 PRO-INFLAMMATORY ROLE FOR ADENOSINE UPTAKE AND METABOLISM LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY 2019-09-19 US claimed
US-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-07-11 US claimed
US-20190125779-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2019-05-02 US claimed
WO-2018089835-A1 A PRO-INFLAMMATORY ROLE FOR ADENOSINE UPTAKE AND METABOLISM LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2018-05-17 WO claimed
US-20180008540-A1 UNIT AEROSOL DOSES FOR ANTICOAGULATION DEERFIELD MANAGEMENT COMPANY, L.P. (SERIES C), AS COLLATERAL AGENT 2018-01-11 US claimed
EP-3247332-A1 UNIT AEROSOL DOSES FOR ANTICOAGULATION Incarda Therapeutics, Inc. (US) 2017-11-29 EP claimed
WO-2017117006-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-07-06 WO claimed
US-20170042929-A9 Methods of Treating Neurological Diseases UNIVERSITY OF HOUSTON 2017-02-16 US claimed
WO-2016118625-A1 UNIT AEROSOL DOSES FOR ANTICOAGULATION INCARDA THERAPEUTICS, INC. (US) 2016-07-28 WO claimed
WO-2016109624-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2016-07-07 WO claimed
WO-1996028163-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-09-19 WO claimed
EP-0594667-A4 TREATMENT OF CHEMOTHERAPEUTIC AGENT AND ANTIVIRAL AGENT TOXICITY WITH ACYLATED PYRIMIDINE NUCLEOSIDES PRO NEURON INC (US) 1996-01-10 EP claimed
WO-1994026761-A1 TREATMENT OF CHEMOTHERAPEUTIC AGENT AND ANTIVIRAL AGENT TOXICITY WITH ACYLATED PYRIMIDINE NUCLEOSIDES PRO-NEURON, INC. (US) 1994-11-24 WO claimed
WO-1994023723-A1 ADENOSINE RECEPTOR AGONISTS FOR THE PROMOTION OF WOUND HEALING NEW YORK UNIVERSITY (US) 1994-10-27 WO claimed
EP-0594667-A1 TREATMENT OF CHEMOTHERAPEUTIC AGENT AND ANTIVIRAL AGENT TOXICITY WITH ACYLATED PYRIMIDINE NUCLEOSIDES PRO-NEURON, INC. (US) 1994-05-04 EP claimed
WO-1993001202-A1 TREATMENT OF CHEMOTHERAPEUTIC AGENT AND ANTIVIRAL AGENT TOXICITY WITH ACYLATED PYRIMIDINE NUCLEOSIDES PRO-NEURON, INC. (US) 1993-01-21 WO claimed
EP-0416011-A4 CHEMOTHERAPEUTIC COMPOSITION FOR AIDS US COMMERCE (US) 1991-05-22 EP claimed
EP-0416011-A1 CHEMOTHERAPEUTIC COMPOSITION FOR AIDS THE UNITED STATES OF AMERICA as represented by the Secretary United States Department of Commerce (US) 1991-03-13 EP claimed
WO-1989011274-A1 CHEMOTHERAPEUTIC COMPOSITION FOR AIDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) 1989-11-30 WO claimed
WO-1989010122-A1 COMPOSITIONS AND METHODS FOR TREATING CUTANEOUS HYPERPROLIFERATIVE DISORDERS YALE UNIVERSITY (US) 1989-11-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20190209598-A1 USE OF A DHODH INHIBITOR IN COMBINATION WITH AN INHIBITOR OF PYRIMIDINE SALVAGE DHODH, DPYD, DHPS SLC29A1 138/4885CYP3A4 705/4885TP53 454/4885

“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.