SCHEMBL3096785

SCHEMBL3096785

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.93
P2RY2 P41231 3/20 0.93
P2RX1 P51575 2/20 0.93
P2RX3 P56373 2/20 0.93
ALDH1A1 P00352 2/20 0.93
SRC P12931 2/20 0.93
SMN1; SMN2 Q16637 2/20 0.93
P2RX4 Q99571 1/20 0.93
P2RX2 Q9UBL9 1/20 0.93
TRPM2 O94759 2/20 0.86
MACROD2 A1Z1Q3 1/20 0.86
SIRT6 Q8N6T7 1/20 0.86
MACROD1 Q9BQ69 1/20 0.86
ENPP1 P22413 1/20 0.82
TAS1R3 Q7RTX0 2/20 0.79
TAS1R1 Q7RTX1 2/20 0.79
DNPH1 O43598 1/20 0.79
PRKAB2 O43741 1/20 0.79
LDHA P00338 1/20 0.79
ADRB2 P07550 1/20 0.79

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
SCHEMBL18089718 1.00 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL30066823 1.00 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Atpgammas SCHEMBL18089704 1.00 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Atpgammas SCHEMBL14942243 1.00 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Atpgammas SCHEMBL77440 1.00 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Atpgammas SCHEMBL29381816 1.00 P2RY1 (0.93) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL4357990 0.96 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL4069414 0.96 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL21067711 0.96 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL849869 0.96 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007020018-A1 USE OF PURINERGIC AND PYRIMIDINERGIC RECEPTOR AGONISTS FOR DENDRITIC CELLS BASED IMMUNOTHERAPIES UNIVERSITE LIBRE DE BRUXELLES (BE) 2007-02-22 WO claimed
US-20050053612-A1 Nucleotide regulation of immune responses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-10 US claimed
EP-4426280-B1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2026-03-18 EP disclosed
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS GURBA ALEXANDRE (CH) 2025-02-20 US disclosed
EP-4197533-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS Guerin, Patrick (CH) 2023-06-21 EP disclosed
US-20170035793-A1 Use of P2X Purinergic Receptor Agonists to Enhance Insulin Secretion In Pancreatic Beta Cells BIOCRINE AB (SE) 2017-02-09 US disclosed
CN-102946887-B P2X purinergic receptor agonists is the application in insulin secretion in strengthening pancreatic beta cell 迈阿密大学 2016-06-29 CN disclosed
US-20130053338-A1 Use of P2X Purinergic Receptor Agonists to Enhance Insulin Secretion in Pancreatic Beta Cells BIOCRINE AB (SE) 2013-02-28 US disclosed
US-20100256086-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF BAR-ILAN UNIVETRSITY (IL) 2010-10-07 US disclosed
EP-2231688-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF Bar-Ilan University (IL) 2010-09-29 EP disclosed
WO-2009066298-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 2009-05-28 WO disclosed
US-20050053612-A1 Nucleotide regulation of immune responses NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-03-10 US disclosed
EP-1421377-A2 THE NATURAL LIGAND FOR ORPHAN G PROTEIN COUPLED RECEPTOR GPR86 AND METHODS OF USE Euroscreen S.A. (BE) 2004-05-26 EP disclosed
US-20040005629-A1 Natural ligand of orphan G protein coupled receptor GPR86 and methods of use EUROSCREEN, S.A. (BE) 2004-01-08 US disclosed
WO-2003028712-A2 PURINERGIC AND PYRIMIDINERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF ACTIVATED CD4+ T LYMPHOCYTE-MEDIATED IMMUNE DISEASES UNIVERSITE LIBRE DE BRUXELLES (BE) 2003-04-10 WO disclosed
US-20030050235-A1 Natural ligand for orphan G protein coupled receptor GPR86 and methods of use OGEDA SA (BE) 2003-03-13 US disclosed
WO-2003014731-A2 THE NATURAL LIGAND FOR ORPHAN G PROTEIN COUPLED RECEPTOR GPR86 AND METHODS OF USE EUROSCREEN S.A. (BE) 2003-02-20 WO disclosed
US-5958696-A Quantitative solid phase helicase assay BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-09-28 US disclosed
US-5817641-A Treatment of enterotoxigenic diarrhea with 2-substituted adenosine derivatives THOMAS JEFFERSON UNIVERSITY (US) 1998-10-06 US disclosed
US-4728730-A Synthesis of nucleoside thiophosphoanhydrides WISCONSIN ALUMINI RESEARCH FOUNDATION (US) 1988-03-01 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-20050053612-A1 Nucleotide regulation of immune responses NT5C2, ENTPD5, ENTPD1 P2RY1 7/4885P2RY2 18/4885P2RX1 15/4885
US-20100256086-A1 NON-HYDROLYZABLE NUCLEOSIDE DI- OR TRI-PHOSPHATE DERIVATIVES AND USES THEREOF P2RY2, P2RY1, CCR2 P2RY1 2/4885P2RY2 1/4885P2RX1 13/4885
US-20250057791-A1 PROTECTION AGAINST ARTHROPOD PARASITES WITH PURINERGIC RECEPTOR (OPR) ANTAGONISTS P2RX2, P2RX3, P2RX1 P2RY1 5/4885P2RY2 7/4885P2RX1 3/4885

“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.