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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 11/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 6/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 4/20 | 0.32 |
| ▸ | JAK2 | O60674 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10200712 | 0.99 | JAK3 (0.35) | JAK3SMN1; SMN2MITFALDH1A1PKM | |
| Bromide SCHEMBL2111881 | 0.99 | JAK3 (0.33) | JAK3SMN1; SMN2MITFALDH1A1PKM | |
| SCHEMBL10200020 | 0.97 | JAK3 (0.37) | JAK3SMN1; SMN2MITFALDH1A1PKM | |
| SCHEMBL10200706 | 0.97 | JAK3 (0.33) | JAK3SMN1; SMN2MITFALDH1A1PKM | |
| Bromide SCHEMBL2112545 | 0.95 | — | — | |
| SCHEMBL10200699 | 0.94 | FLT3 (0.30) | — | |
| SCHEMBL10200693 | 0.90 | LMNA (0.32) | SMN1; SMN2ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL2109934 | 0.89 | LMNA (0.31) | SMN1; SMN2LMNA | |
| Trifluoroacetic Acid SCHEMBL2110358 | 0.88 | JAK3 (0.37) | JAK3SMN1; SMN2MITFALDH1A1PKM | |
| Bromide SCHEMBL2110642 | 0.83 | NCF1 (0.31) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| EP-2018863-B9 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2015-02-18 | — | — | EP | disclosed |
| EP-2018863-B1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2014-08-13 | — | — | EP | disclosed |
| EP-2742936-A1 | Fused heterocyclic compound and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2014-06-18 | — | — | EP | disclosed |
| EP-2727585-A1 | In-vivo screening method | Takeda Pharmaceutical Company Limited (JP) | 2014-05-07 | — | — | EP | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| US-8158617-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | US | disclosed |
| EP-2018863-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-01-28 | — | — | 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 (3 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-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | JAK3 1662/4885SMN1; SMN2 3017/4885MITF 1129/4885 |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | HTR2C, HTR3C, HTR3B | JAK3 1662/4885SMN1; SMN2 3017/4885MITF 1129/4885 |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | JAK3 1662/4885SMN1; SMN2 3017/4885MITF 1129/4885 |
“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.