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 | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.56 |
| ▸ | NOS3 | P29474 | 3/20 | 0.56 |
| ▸ | NOS1 | P29475 | 1/20 | 0.56 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.45 |
| ▸ | GABRE | P78334 | 1/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.45 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.45 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.45 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 6/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL117968 | 0.98 | — | — | |
| SCHEMBL29911656 | 0.98 | — | — | |
| SCHEMBL27651032 | 0.84 | NOS3 (0.67) | NOS2NOS3NOS1GABRPGABRD | |
| SCHEMBL31565043 | 0.82 | — | — | |
| SCHEMBL1445722 | 0.73 | — | — | |
| SCHEMBL31105996 | 0.72 | — | — | |
| SCHEMBL31648047 | 0.72 | — | — | |
| SCHEMBL262692 | 0.72 | — | — | |
| SCHEMBL31452225 | 0.72 | — | — | |
| SCHEMBL156190 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442792-B2 | halogenation of pyrazolo[1,5-a][1,3,5]triazin-4-ol's, with phosphorus oxyhalides, then dehalogenation and amination to yield dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine's, used as corticotropin releasing factor (CRF) receptor antagonists; anxiolytic agents; antidepressants | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2008-10-28 | — | — | US | disclosed |
| US-20070161790-A1 | Process for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2007-07-12 | — | — | US | disclosed |
| US-7208596-B2 | Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-04-24 | — | — | US | disclosed |
| CN-1906198-A | Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2007-01-31 | — | — | CN | disclosed |
| EP-1706408-A2 | PROCESSES FOR THE PREPARATION OF PYRAZOLO[1,5- A] -1,3,5-TRIAZINES AND INTERMEDIATES THEREOF | Bristol-Myers Squibb Pharma Company (US) | 2006-10-04 | — | — | EP | disclosed |
| US-20050143380-A1 | Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2005-06-30 | — | — | US | disclosed |
| WO-2005051954-A2 | PROCESSES FOR THE PREPARATION OF PYRAZOLO[1,5-a]-1,3,5-TRIAZINES AND INTERMEDIATES THEREOF | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-06-09 | — | — | WO | 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 (2 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-20070161790-A1 | Process for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof | CRHR1, CRH, CRHR2 | NOS2 3513/4885NOS3 3343/4885NOS1 2870/4885 |
| US-20050143380-A1 | Processes for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof | CRHR1, CRH, CRHR2 | NOS2 3568/4885NOS3 3419/4885NOS1 2947/4885 |
“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.