SCHEMBL374913

SCHEMBL374913

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 3/20 0.73
TRPM2 O94759 1/20 0.66
P2RY1 P47900 2/20 0.65
SRC P12931 1/20 0.65
P2RY2 P41231 1/20 0.65
P2RX1 P51575 1/20 0.65
P2RX3 P56373 1/20 0.65
P2RX4 Q99571 1/20 0.65
P2RX2 Q9UBL9 1/20 0.65

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
SCHEMBL30079811 1.00 ENTPD1 (0.73) ENTPD1TRPM2P2RY1SRCP2RY2
SCHEMBL15082696 1.00 ENTPD1 (0.73) ENTPD1TRPM2P2RY1SRCP2RY2
SCHEMBL374912 1.00 ENTPD1 (0.73) ENTPD1TRPM2P2RY1SRCP2RY2
SCHEMBL4314233 0.99 ENTPD1 (0.72) ENTPD1TRPM2P2RY1
SCHEMBL8628979 0.95 ENTPD1 (0.66) ENTPD1TRPM2P2RY1
SCHEMBL6764984 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1SRCP2RY2
SCHEMBL4315602 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1SRCP2RY2
SCHEMBL30583439 0.92 SIRT2 (0.72) ENTPD1TRPM2P2RY1SRCP2RY2
SCHEMBL636535 0.91 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL636536 0.91 ENTPD1 (0.75) ENTPD1TRPM2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138999-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS BRISTOL MYERS SQUIBB CO (US) 2026-05-21 US disclosed
US-12492217-B2 Reagents and their use for modular enantiodivergent synthesis of C—P bonds BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 US disclosed
CN-112236438-B Phosphorus (V) based reagent, method for the production thereof, and use thereof for producing stereoregular organic phosphorus (V) compounds 百时美施贵宝公司 2024-10-15 CN disclosed
US-12077558-B2 Phosphorus (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophosphorus (V) compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-09-03 US disclosed
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS THE SCRIPPS RESEARCH INSTITUTE 2023-07-06 US disclosed
US-11613554-B2 Phosphorous (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophoshorous (V) compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-03-28 US disclosed
CN-115244061-A Reagents and their use for modular enantioselective synthesis of C-P bonds 百时美施贵宝公司 2022-10-25 CN disclosed
EP-3774824-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS Bristol-Myers Squibb Company (US) 2021-02-17 EP disclosed
CN-112236438-A Novel phosphorus (V) -based reagents, method for the production thereof, and use thereof for producing sterically defined organic phosphorus (V) compounds 百时美施贵宝公司 2021-01-15 CN disclosed
US-20040132067-A1 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SOMALOGIC, INC. 2004-07-08 US disclosed
US-6482594-B2 Made by exposing nucleic acid candidate sequences having photoreactive groups to the target molecule, irradiating complexes formed to crosslink, and separating the crosslinked complexes and amplifying to give the ligands SOMALOGIC, INC. 2002-11-19 US disclosed
US-20020106652-A1 Systematic evolution of ligands by exponential enrichment: photoselection of nucleic acid ligands and solution selex SOMALOGIC, INC. 2002-08-08 US disclosed
US-6291184-B1 DETECTING TARGET MOLECULES IN A BIOLOGICAL SUBSTANCE ASSOCIATED WITH DISEASES BY EXPOSING SUBSTANCE TO A NUCLEIC ACID LIGAND THAT PHOTOCROSSLINKS TO A TARGET MOLECULE; IRRADIATING THE SUBSTANCE CONTAINING LIGAND, DETECT COMPLEXES SOMALOGIC, INC. 2001-09-18 US disclosed
US-6001577-A SCREENING FOR LIGANDS ASSOCIATED WITH A DISEASE BY DETECTING LIGAND THAT PHOTOCROSSLINKS TO TARGET WITH PHOTOREACTIVE GROUPS FROM CANDIDATE MIXTURE, REMOVING ANY NUCLEIC ACIDS WITH AFFINITIES NOT ASSOCIATED WITH DISEASE, AND AMPLIFYING NEXSTAR PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
EP-0736105-A4 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIV RESEARCH CORP (US) 1998-10-28 EP disclosed
US-5763177-A SELEX IS AN ACRONYM FOR SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT; USEFUL FOR DIAGNOSIS AND/OR TREATMENT OF DISEASES OR PATHOLOGICAL OR TOXIC STATES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-06-09 US disclosed
US-5620676-A ADENOSINE TRIPHOSPHATE DERIVATIVES; TREATMENT OF SEPTIC SHOCK OR BRAIN SEIZURES, LEARNING ENHANCEMENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-04-15 US disclosed
EP-0736105-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX NeXstar Pharmaceuticals, Inc. (US) 1996-10-09 EP disclosed
WO-1995008003-A1 SYSTEMATIC EVOLUTION OF LIGANDS BY EXPONENTIAL ENRICHMENT: PHOTOSELECTION OF NUCLEIC ACID LIGANDS AND SOLUTION SELEX UNIVERSITY RESEARCH CORPORATION (US) 1995-03-23 WO 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-20260138999-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS RNGTT, CDA, DCTD ENTPD1 149/4885TRPM2 4743/4885P2RY1 797/4885
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS ENTPD1 1065/4885TRPM2 3697/4885P2RY1 799/4885
US-12077558-B2 Phosphorus (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophosphorus (V) compounds PPIP5K2, PLCB3, PLCG2 ENTPD1 697/4885TRPM2 3921/4885P2RY1 402/4885
US-11613554-B2 Phosphorous (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophoshorous (V) compounds PPIP5K2, INPP5B, PTMS ENTPD1 1065/4885TRPM2 3697/4885P2RY1 799/4885
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS PNKP, POLL, RNGTT ENTPD1 517/4885TRPM2 4852/4885P2RY1 1743/4885
US-12492217-B2 Reagents and their use for modular enantiodivergent synthesis of C—P bonds PNKP, POLL, RNGTT ENTPD1 530/4885TRPM2 4847/4885P2RY1 1578/4885

“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.