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 | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.40 |
| ▸ | ITK | Q08881 | 2/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | FES | P07332 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.40 |
| ▸ | FER | P16591 | 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 | |
|---|---|---|---|---|
| SCHEMBL1800624 | 0.99 | PDPK1 (0.48) | PDPK1ROCK1CYP3A4CDK5ITK | |
| SCHEMBL8478982 | 0.89 | BTK (0.41) | PDPK1ROCK1CYP3A4CDK5ITK | |
| SCHEMBL8443770 | 0.87 | BTK (0.40) | PDPK1ROCK1CYP3A4CDK5ITK | |
| SCHEMBL15500884 | 0.83 | AXL (0.54) | PDPK1ITKBTK | |
| SCHEMBL1799923 | 0.82 | DYRK1A (0.50) | PDPK1ROCK1CYP3A4CDK5ITK | |
| SCHEMBL1801591 | 0.78 | PDPK1 (0.53) | PDPK1ROCK1CYP3A4CDK5ITK | |
| SCHEMBL12616725 | 0.77 | BTK (0.39) | PDPK1CDK5ITKCDK2BTK | |
| SCHEMBL1800868 | 0.76 | PDPK1 (0.53) | PDPK1ROCK1CYP3A4CDK5ITK | |
| SCHEMBL1801553 | 0.76 | MAP3K11 (0.45) | PDPK1ROCK1CYP3A4CDK5ITK | |
| SCHEMBL1798655 | 0.76 | CYP3A4 (0.44) | PDPK1ROCK1CYP3A4CDK5ITK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7951802-B2 | Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20100069358-A1 | USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-03-18 | — | — | US | disclosed |
| EP-2125801-A1 | THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE | Eisai R&D Management Co., Ltd. (JP) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008095943-A1 | THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE | EISAI R&D MANAGEMENT CO. LTD. (JP) | 2008-08-14 | — | — | 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 (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-20100069358-A1 | USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE | MAPK7, MAPKAPK5, MAPK13 | PDPK1 546/4885ROCK1 398/4885CYP3A4 3272/4885 |
“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.