SCHEMBL21465098

SCHEMBL21465098

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)C1(F)F

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 8/20 0.68
▸ P2RX1 P51575 5/20 0.68
▸ P2RX2 Q9UBL9 3/20 0.68
▸ P2RY1 P47900 6/20 0.65
▸ P2RX4 Q99571 6/20 0.65
▸ P2RY2 P41231 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ SRC P12931 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ RNASEL Q05823 1/20 0.63
▸ MACROD2 A1Z1Q3 1/20 0.61
▸ SIRT6 Q8N6T7 1/20 0.61
▸ MACROD1 Q9BQ69 1/20 0.61
▸ TRPM2 O94759 1/20 0.61
▸ P2RX7 Q99572 1/20 0.58

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
SCHEMBL21465101 1.00 P2RX3 (0.68) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL30023799 1.00 P2RX3 (0.68) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL23748621 0.92 P2RX3 (0.67) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL29511147 0.92 P2RX3 (0.67) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL16777543 0.91 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL26027907 0.91 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL22837322 0.91 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL16777585 0.91 P2RX3 (0.66) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL22837327 0.90 P2RX1 (0.64) P2RX3P2RX1P2RX2P2RY1P2RX4
SCHEMBL16640135 0.90 P2RX3 (0.67) P2RX3P2RX1P2RX2P2RY1P2RX4

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 10 patents. 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
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
WO-2021146391-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C–P BONDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-22 — — WO 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
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2019-10-24 — — US disclosed
WO-2019200273-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) 2019-10-17 — — 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 (7 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 P2RX3 1431/4885P2RX1 1240/4885P2RX2 1490/4885
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 P2RX3 552/4885P2RX1 672/4885P2RX2 444/4885
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 P2RX3 337/4885P2RX1 418/4885P2RX2 322/4885
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 P2RX3 552/4885P2RX1 672/4885P2RX2 444/4885
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS P2RX3 420/4885P2RX1 565/4885P2RX2 360/4885
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS PNKP, POLL, RNGTT P2RX3 2478/4885P2RX1 2454/4885P2RX2 2155/4885
US-12492217-B2 Reagents and their use for modular enantiodivergent synthesis of C—P bonds PNKP, POLL, RNGTT P2RX3 2326/4885P2RX1 2268/4885P2RX2 2022/4885

“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.

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