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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 7/20 | 0.56 |
| ▸ | CCNB2 | O95067 | 6/20 | 0.56 |
| ▸ | CDK1 | P06493 | 6/20 | 0.56 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.56 |
| ▸ | GSK3A | P49840 | 6/20 | 0.56 |
| ▸ | CCNB3 | Q8WWL7 | 6/20 | 0.56 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.56 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.56 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL490089 | 0.84 | CCNB2 (0.59) | GSK3BCCNB2CDK1CCNB1GSK3A | |
| Bromide SCHEMBL490592 | 0.74 | GSK3A (0.97) | GSK3BCCNB2CDK1CCNB1GSK3A | |
| SCHEMBL19260963 | 0.64 | JAK2 (0.43) | MAPK1JAK2JAK1JAK3PDK2 | |
| SCHEMBL20924072 | 0.62 | NOTUM (0.50) | MTOR | |
| SCHEMBL19240927 | 0.61 | JAK2 (0.40) | JAK2JAK1JAK3 | |
| Bromide SCHEMBL490385 | 0.60 | GSK3A (0.59) | GSK3BCCNB2CDK1CCNB1GSK3A | |
| SCHEMBL22165867 | 0.60 | PTGS1 (0.41) | — | |
| SCHEMBL12148008 | 0.59 | JAK1 (0.63) | JAK2JAK1JAK3 | |
| SCHEMBL1780566 | 0.59 | GSK3A (0.73) | GSK3BCCNB2CDK1CCNB1GSK3A | |
| Bromide SCHEMBL490395 | 0.58 | GSK3A (0.97) | GSK3BCCNB2CDK1CCNB1GSK3A |
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 | GSK3B 599/4885CCNB2 173/4885CDK1 39/4885 |
“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.