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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.41 |
| ▸ | FABP6 | P51161 | 1/20 | 0.47 |
| ▸ | CSNK1E | P49674 | 6/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | ATP4A | P20648 | 5/20 | 0.40 |
| ▸ | ATP4B | P51164 | 5/20 | 0.40 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.38 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.38 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.38 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.38 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.38 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.38 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15553070 | 0.98 | FABP6 (0.49) | FABP6CSNK1EPLAUHTR3EHTR3B | |
| SCHEMBL8306086 | 0.78 | CSNK1E (0.42) | CSNK1EATP4AATP4BCSNK1G3NPY5R | |
| SCHEMBL8265318 | 0.78 | MAPT (0.46) | CSNK1EATP4AATP4BCSNK1G3NPY5R | |
| SCHEMBL10628426 | 0.75 | KDM4E (0.51) | CSNK1EATP4AATP4BCSNK1G3NPY5R | |
| SCHEMBL12111156 | 0.74 | GAA (0.53) | CSNK1EATP4AATP4BCSNK1G3NPY5R | |
| SCHEMBL12109093 | 0.74 | CSNK1E (0.42) | CSNK1EATP4AATP4BCSNK1G3NPY5R | |
| SCHEMBL11544115 | 0.74 | FABP6 (0.52) | FABP6PLAUHTR3EHTR3BHTR3A | |
| SCHEMBL25830578 | 0.74 | FABP6 (0.52) | FABP6PLAUHTR3EHTR3BHTR3A | |
| SCHEMBL16671383 | 0.73 | CSNK1E (0.44) | CSNK1EATP4AATP4BCSNK1G3NPY5R | |
| SCHEMBL19270955 | 0.69 | CSNK1E (0.62) | CSNK1EATP4AATP4BCSNK1G3NPY5R |
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-20170240556-A1 | BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS | 4SC DISCOVERY GMBH (DE) | 2017-08-24 | — | — | US | disclosed |
| US-9580438-B2 | Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders | 4SC DISCOVERY GMBH (DE) | 2017-02-28 | — | — | US | disclosed |
| US-20150158878-A1 | BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS | 4SC DISCOVERY GMBH (DE) | 2015-06-11 | — | — | US | 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-20170240556-A1 | BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS | CNKSR1, TYK2, ERBB2 | HTR3A 3040/4885FABP6 3088/4885CSNK1E 312/4885 |
| US-20150158878-A1 | BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS | CHUK, KYNU, BLK | HTR3A 2943/4885FABP6 3305/4885CSNK1E 451/4885 |
“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.