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 | |
|---|---|---|---|---|
| Methane SCHEMBL27461467 | 0.91 | — | — | |
| Methane SCHEMBL28135698 | 0.91 | — | — | |
| Bromide SCHEMBL10888731 | 0.91 | — | — | |
| Methane SCHEMBL725158 | 0.91 | — | — | |
| Bromide SCHEMBL16564489 | 0.91 | — | — | |
| Bromide SCHEMBL25170053 | 0.91 | — | — | |
| Methane SCHEMBL7738431 | 0.83 | — | — | |
| Bromide SCHEMBL19712646 | 0.83 | — | — | |
| Methane SCHEMBL121649 | 0.83 | — | — | |
| Bromide SCHEMBL19712644 | 0.83 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220227751-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. | GALAPAGOS NV (BE) | 2022-07-21 | — | — | US | disclosed |
| EP-4019519-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Galapagos N.V. (BE) | 2022-06-29 | — | — | EP | disclosed |
| EP-3378862-B1 | DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF MULTIPLE SCLEROSIS | GALAPAGOS NV (BE) | 2022-03-16 | — | — | EP | disclosed |
| US-11220499-B2 | Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders | GALAPAGOS NV (BE) | 2022-01-11 | — | — | US | disclosed |
| US-20190002458-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. | GALAPAGOS NV (BE) | 2019-01-03 | — | — | US | disclosed |
| EP-3378862-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Galapagos N.V. (BE) | 2018-09-26 | — | — | EP | disclosed |
| US-20180016275-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) | GALAPAGOS NV (BE) | 2018-01-18 | — | — | US | disclosed |
| EP-2794604-B1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2017-09-13 | — | — | EP | disclosed |
| US-9708312-B2 | Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders (GPR84 antagonists) | GALAPAGOS NV (BE) | 2017-07-18 | — | — | US | disclosed |
| EP-2935262-B1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) | GALAPAGOS NV (BE) | 2017-03-15 | — | — | EP | disclosed |
| US-20160244442-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. | GALAPAGOS NV (BE) | 2016-08-25 | — | — | US | disclosed |
| US-20160039807-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) | GALAPAGOS NV (BE) | 2016-02-11 | — | — | US | disclosed |
| US-9255095-B2 | Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders | GALAPAGOS NV (BE) | 2016-02-09 | — | — | US | disclosed |
| EP-2935262-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) | Galapagos NV (BE) | 2015-10-28 | — | — | EP | disclosed |
| US-8927543-B2 | Dihydropyrimidinoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders | GALAPAGOS NV (BE) | 2015-01-06 | — | — | US | disclosed |
| EP-2794604-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Galapagos NV (BE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2014095798-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS (GPR84 ANTAGONISTS) | GALAPAGOS NV (BE) | 2014-06-26 | — | — | WO | disclosed |
| US-20140121204-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. | GALAPAGOS NV (BE) | 2014-05-01 | — | — | US | disclosed |
| WO-2013092791-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2013-06-27 | — | — | WO | disclosed |
| US-20130165437-A1 | NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. | GALAPAGOS NV (BE) | 2013-06-27 | — | — | US | disclosed |