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 | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 3/20 | 0.47 |
| ▸ | WNT3A | P56704 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | AGER | Q15109 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 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 | |
|---|---|---|---|---|
| SCHEMBL29603588 | 0.98 | CTNNB1 (0.48) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| SCHEMBL3741436 | 0.98 | CTNNB1 (0.48) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| SCHEMBL31305962 | 0.80 | CTNNB1 (0.48) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| SCHEMBL16359218 | 0.80 | CTNNB1 (0.48) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| SCHEMBL15988878 | 0.79 | CTNNB1 (0.57) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| Bromide SCHEMBL1984185 | 0.79 | RAB9A (0.41) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| Bromide SCHEMBL6111604 | 0.79 | CTNNB1 (0.47) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| Bromide SCHEMBL4353378 | 0.78 | CTNNB1 (0.50) | CTNNB1WNT3AKDM4EMAPTPTPN1 | |
| SCHEMBL15868721 | 0.77 | CTNNB1 (0.46) | CTNNB1WNT3AKDM4EMAPTCYP1A2 | |
| SCHEMBL20221424 | 0.77 | KDM4E (0.44) | CTNNB1WNT3AKDM4EMAPTCYP1A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670191-B2 | Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2017-06-06 | — | — | US | disclosed |
| US-20150218138-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-08-06 | — | — | US | disclosed |
| US-9056854-B2 | Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-06-16 | — | — | US | disclosed |
| US-20150051237-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2015-02-19 | — | — | US | disclosed |
| US-8906934-B2 | Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furane-derivatives as kinase inhibitors | Nerviano Medical Science S.R.L. (IT) | 2014-12-09 | — | — | US | disclosed |
| EP-2004623-B1 | PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES SRL (IT) | 2013-10-09 | — | — | EP | disclosed |
| US-20120295906-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2012-11-22 | — | — | US | disclosed |
| US-8263604-B2 | Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2012-09-11 | — | — | US | disclosed |
| US-20090099221-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2009-04-16 | — | — | US | disclosed |
| EP-2004623-A1 | PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | Nerviano Medical Sciences S.r.l. (IT) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007110344-A1 | PYRIDYL- AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2007-10-04 | — | — | 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 (4 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-20150051237-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | CDK2, CDK1, CDK5 | CTNNB1 2656/4885WNT3A 2273/4885KDM4E 872/4885 |
| US-20090099221-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS | CDK2, CDK1, CDK5 | CTNNB1 2651/4885WNT3A 2354/4885KDM4E 881/4885 |
| US-20120295906-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS | CDK2, CDK1, CDK5 | CTNNB1 2656/4885WNT3A 2273/4885KDM4E 872/4885 |
| US-20150218138-A1 | PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE- AND FURANE-DERIVATIVES AS KINASE INHIBITORS | CDK2, CDK1, CDK5 | CTNNB1 2656/4885WNT3A 2273/4885KDM4E 872/4885 |
“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.