⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10276617 | 0.71 | MAPT (0.34) | — | |
| SCHEMBL14699373 | 0.67 | ADORA2A (0.47) | — | |
| SCHEMBL3662997 | 0.66 | PARP1 (0.32) | — | |
| SCHEMBL1718132 | 0.65 | PARP1 (0.48) | — | |
| SCHEMBL8921089 | 0.64 | L3MBTL1 (0.34) | — | |
| SCHEMBL7456423 | 0.62 | PIM3 (0.31) | — | |
| SCHEMBL26415517 | 0.61 | ADORA2A (0.47) | — | |
| SCHEMBL169063 | 0.60 | — | — | |
| SCHEMBL29002489 | 0.60 | ADORA2A (0.42) | — | |
| SCHEMBL65249 | 0.60 | — | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427456-B1 | ISOXAZOLE-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-02-05 | — | — | EP | claimed |
| US-9701691-B2 | Thienopyrimidine compounds | HOFFMAN-LA ROCHE INC. (US) | 2017-07-11 | — | — | US | claimed |
| EP-2802590-B1 | THIENOPYRIMIDINE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2017-03-01 | — | — | EP | claimed |
| US-9433622-B2 | Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms | CASE WESTERN RESERVE UNIVERSITY (US) | 2016-09-06 | — | — | US | claimed |
| EP-2958910-B1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LTD (GB) | 2016-08-03 | — | — | EP | claimed |
| US-20160000784-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LIMITED (GB) | 2016-01-07 | — | — | US | claimed |
| EP-2958910-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | Domainex Limited (GB) | 2015-12-30 | — | — | EP | claimed |
| EP-2627631-B1 | PYRROLIDINONES AS METAP2 INHIBITORS | MERCK PATENT GMBH (DE) | 2015-12-16 | — | — | EP | claimed |
| EP-2802590-A1 | THIENOPYRIMIDINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2014-11-19 | — | — | EP | claimed |
| WO-2014128486-A1 | PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS | DOMAINEX LIMITED (GB) | 2014-08-28 | — | — | WO | claimed |
| US-20130331370-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | WITYAK JOHN (US) | 2013-12-12 | — | — | US | claimed |
| WO-2013104575-A1 | THIENOPYRIMIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-07-18 | — | — | WO | claimed |
| US-20130178460-A1 | THIENOPYRIMIDINE COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2013-07-11 | — | — | US | claimed |
| EP-2346848-B1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | claimed |
| US-8318749-B2 | Quinazoline derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | claimed |
| US-20100286132-A1 | PYRIDINES | ROCHE PALO ALTO LLC | 2010-11-11 | — | — | US | claimed |
| WO-2010127976-A1 | ISOXAZOLE-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-11 | — | — | WO | claimed |
| US-20100125078-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-05-20 | — | — | US | claimed |
| WO-2010054968-A1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-20 | — | — | WO | claimed |
| WO-2010017179-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI, INC. (US) | 2010-02-11 | — | — | WO | claimed |