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.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 17/20 | 0.97 |
| ▸ | CDK1 | P06493 | 17/20 | 0.97 |
| ▸ | CCNB1 | P14635 | 17/20 | 0.97 |
| ▸ | CCNB3 | Q8WWL7 | 17/20 | 0.97 |
| ▸ | GSK3B | P49841 | 16/20 | 0.97 |
| ▸ | CDK5 | Q00535 | 13/20 | 0.97 |
| ▸ | CDK5R1 | Q15078 | 13/20 | 0.97 |
| ▸ | GSK3A | P49840 | 11/20 | 0.97 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.63 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1780075 | 0.79 | CCNB2 (0.67) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL27158570 | 0.79 | CCNB2 (0.67) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL31064965 | 0.77 | RIPK1 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL2997190 | 0.77 | RIPK1 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL10014918 | 0.76 | GSK3B (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL29913107 | 0.75 | GSK3B (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL491000 | 0.75 | GSK3B (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL29912855 | 0.74 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| SCHEMBL490933 | 0.74 | CCNB2 (1.00) | CCNB2CDK1CCNB1CCNB3GSK3B | |
| Bromide SCHEMBL490969 | 0.73 | CCNB2 (0.97) | CCNB2CDK1CCNB1CCNB3GSK3B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8106050-B2 | 6-[1-(4-Chlorophenyl)-1-cyclopropyl][5H]pyrrolo[2,3-b]pyrazine; cyclin-dependent kinases and glycogen synthase kinase-3 inhibitor; antiproliferative, anticarcinogenic agent; neurodegenerative disorders; controlling the cell cycle apoptosis, neuronal functions, transcription and exocytosis | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2012-01-31 | — | — | US | disclosed |
| US-20080161312-A1 | Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2008-07-03 | — | — | US | disclosed |
| EP-1388541-A1 | Pyrrolopyrazines as kinase inhibitors | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2004-02-11 | — | — | EP | 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 (1 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080161312-A1 | Derivatives of Pyrrolo-Pyrazines Having a Kinase Inhibitory Activity and Their Biological Applications | CDK2, PLK2, CDK5 | CCNB2 173/4885CDK1 39/4885CCNB1 114/4885 |
“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.