Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6648129 | 0.97 | — | — | |
| Bromide SCHEMBL11698131 | 0.70 | PTGIR (0.39) | — | |
| SCHEMBL8997519 | 0.69 | — | — | |
| Bromide SCHEMBL11698382 | 0.67 | PTGIR (0.30) | — | |
| SCHEMBL14026984 | 0.63 | — | — | |
| SCHEMBL21322304 | 0.63 | — | — | |
| SCHEMBL10099102 | 0.63 | NOS3 (0.30) | — | |
| SCHEMBL22858811 | 0.61 | HTR1D (0.30) | — | |
| SCHEMBL3899388 | 0.54 | — | — | |
| SCHEMBL15353599 | 0.53 | NOS3 (0.36) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8815853-B2 | Pyrimidinone derivatives, preparation thereof and pharmaceutical use thereof | SANOFI (FR) | 2014-08-26 | — | — | US | disclosed |
| US-20130289031-A1 | PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF | SANOFI (FR) | 2013-10-31 | — | — | US | disclosed |
| US-7781440-B2 | Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives | SANOFI-AVENTIS (FR) | 2010-08-24 | — | — | US | disclosed |
| US-7462621-B2 | Use of substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives as therapeutic agents | SANOFI-AVENTIS (FR) | 2008-12-09 | — | — | US | disclosed |
| US-20080269257-A1 | Use of Substituted 2-Pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-A] Pyrimidin-4-one and 7-Pyrimidinyl-2,3-dihydroimidazo[1,2-A] Pyrimidin-5(1H)one Derivatives | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | US | disclosed |
| US-7388005-B2 | Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo [1,2-a]pyrimidin-5(1H)one derivatives for neurodegenerative disorders | SANOFI-AVENTIS (FR) | 2008-06-17 | — | — | US | disclosed |
| US-20070167461-A1 | USE OF SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-a] PYRIMIDIN-5(1H)ONE DERIVATIVES AS THERAPEUTIC AGENTS | SANOFI-AVENTIS (FR) | 2007-07-19 | — | — | US | disclosed |
| US-7214682-B2 | Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives | SANOFI-AVENTIS (FR) | 2007-05-08 | — | — | US | disclosed |
| EP-1674456-A2 | Substituted alpha-halo-beta-keto-pyridinylpropanoates | Sanofi-Aventis (FR) | 2006-06-28 | — | — | EP | disclosed |
| EP-1430056-B1 | SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS | SANOFI AVENTIS (FR) | 2005-10-26 | — | — | EP | disclosed |
| US-20050049261-A1 | Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido{1,2-a}pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo{1,2-a}pyrimidin-5(1h)one derivatives | SANOFI (FR) | 2005-03-03 | — | — | US | disclosed |
| US-20040266793-A1 | Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1h)one derivatives for neurodegenerative disorders | SANOFI (FR) | 2004-12-30 | — | — | US | disclosed |
| EP-1430057-A2 | SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO 1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO 1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES | Sanofi-Aventis (FR) | 2004-06-23 | — | — | EP | disclosed |
| EP-1430056-A1 | SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS | Sanofi-Aventis (FR) | 2004-06-23 | — | — | EP | disclosed |
| EP-1340761-A1 | Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives | SANOFI-SYNTHELABO (FR) | 2003-09-03 | — | — | EP | disclosed |
| EP-1340760-A1 | Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives | SANOFI-SYNTHELABO (FR) | 2003-09-03 | — | — | EP | disclosed |
| WO-2003027116-A2 | SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES | SANOFI-SYNTHELABO (FR) | 2003-04-03 | — | — | WO | disclosed |
| WO-2003027115-A1 | SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS | SANOFI-SYNTHELABO (FR) | 2003-04-03 | — | — | WO | disclosed |
| EP-1295885-A1 | Substituted 2-pyridinyl-6,7,8,9-tetrahydropyrimido(1,2-a)pyrimidin-4-one and 7-pyridinyl-2,3-dihydroimidazo(1,2-a)pyrimidin-5(1H)one derivatives | SANOFI-SYNTHELABO (FR) | 2003-03-26 | — | — | EP | disclosed |
| EP-1295884-A1 | 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 7-Pyrimidinyl-2,3-Dihydroimidazo[1,2-a]Pyrimidin-5(1H)one derivatives | SANOFI-SYNTHELABO (FR) | 2003-03-26 | — | — | EP | disclosed |