⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14657993 | 1.00 | — | — | |
| SCHEMBL20541018 | 1.00 | — | — | |
| SCHEMBL3514078 | 0.81 | PLG (0.34) | — | |
| SCHEMBL11085265 | 0.77 | SLC1A2 (0.32) | — | |
| SCHEMBL21591911 | 0.77 | SCN1A (0.31) | — | |
| SCHEMBL11567957 | 0.77 | SLC1A2 (0.32) | — | |
| SCHEMBL20241134 | 0.77 | CYP19A1 (0.39) | — | |
| SCHEMBL21838923 | 0.77 | — | — | |
| SCHEMBL26600960 | 0.76 | — | — | |
| Bromide SCHEMBL11569593 | 0.76 | SCN1A (0.30) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12129237-B2 | Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2024-10-29 | — | — | US | disclosed |
| US-20240279218-A1 | ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2024-08-22 | — | — | US | disclosed |
| EP-4328223-A2 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | Signal Pharmaceuticals, LLC (US) | 2024-02-28 | — | — | EP | disclosed |
| EP-2699553-B1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2023-11-08 | — | — | EP | disclosed |
| US-20230116093-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2023-04-13 | — | — | US | disclosed |
| US-20220411415-A1 | ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2022-12-29 | — | — | US | disclosed |
| US-11325890-B2 | Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2022-05-10 | — | — | US | disclosed |
| EP-3551627-B1 | NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM | HOFFMANN LA ROCHE (CH) | 2022-02-16 | — | — | EP | disclosed |
| US-11091471-B2 | Isoxazolyl ether derivatives as GABAA α5 PAM | HOFFMANN-LA ROCHE INC. (US) | 2021-08-17 | — | — | US | disclosed |
| US-20210114992-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2021-04-22 | — | — | US | disclosed |
| US-10266500-B2 | Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2019-04-23 | — | — | US | disclosed |
| US-20180305322-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2018-10-25 | — | — | US | disclosed |
| US-10040770-B2 | Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2018-08-07 | — | — | US | disclosed |
| US-20170267647-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2017-09-21 | — | — | US | disclosed |
| US-9701643-B2 | Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2017-07-11 | — | — | US | disclosed |
| US-20150336901-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC (US) | 2015-11-26 | — | — | US | disclosed |
| US-9139534-B2 | Substituted diaminocarboxamide and diaminocarbonitrile pyrimidines, compositions thereof, and methods of treatment therewith | SIGNAL PHARMACEUTICALS, LLC (US) | 2015-09-22 | — | — | US | disclosed |
| US-20130029987-A1 | SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARMACEUTICALS, LLC | 2013-01-31 | — | — | US | disclosed |
| US-6331548-B1 | PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES | SUNTORY LIMITED (JP) | 2001-12-18 | — | — | US | disclosed |
| EP-0978516-A1 | 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY | SUNTORY LIMITED (JP) | 2000-02-09 | — | — | EP | disclosed |