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 | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 2/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.52 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 1/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.52 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.52 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.52 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.52 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10247 | 0.98 | CDK8 (0.53) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| Bromide SCHEMBL9524427 | 0.75 | CDK8 (0.52) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| Bromide SCHEMBL9692647 | 0.75 | CDK8 (0.52) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL334306 | 0.72 | CDK8 (0.53) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL22836801 | 0.72 | CDK8 (0.53) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL260187 | 0.72 | CDK8 (0.53) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL18324191 | 0.72 | CDK8 (0.53) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL21352246 | 0.72 | CDK8 (0.53) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL4770221 | 0.72 | CDK8 (0.53) | CDK8ROCK1CHEK1MAP4K4CSF1R | |
| SCHEMBL260258 | 0.72 | CDK8 (0.56) | CDK8ROCK1CHEK1MAP4K4CSF1R |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110294792-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-12-01 | — | — | US | disclosed |
| US-8058425-B2 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY (US) | 2011-11-15 | — | — | US | disclosed |
| US-8022065-B2 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY (US) | 2011-09-20 | — | — | US | disclosed |
| US-20110207721-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-08-25 | — | — | US | disclosed |
| US-20090105229-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | ELI LILLY AND COMPANY | 2009-04-23 | — | — | US | disclosed |
| US-7491716-B2 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY (US) | 2009-02-17 | — | — | US | disclosed |
| US-7405305-B2 | Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors | ELI LILLY AND COMPANY (US) | 2008-07-29 | — | — | US | disclosed |
| EP-1487822-B1 | PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS | LILLY CO ELI (US) | 2007-08-01 | — | — | EP | disclosed |
| EP-1483265-B1 | PURINE DERIVATIVES AS KINASE INHIBITORS | LILLY CO ELI (US) | 2006-11-22 | — | — | EP | disclosed |
| US-20050288321-A1 | Kinase inhibitors | ELI LILLY AND COMPANY | 2005-12-29 | — | — | US | disclosed |
| CN-1639152-A | Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors | LILLY CO ELI (US) | 2005-07-13 | — | — | CN | disclosed |
| US-20050090483-A1 | Purine derivatives as kinase inhibitors | ELI LILLY AND COMPANY | 2005-04-28 | — | — | US | disclosed |
| EP-1487822-A2 | PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS | ELI LILLY AND COMPANY (US) | 2004-12-22 | — | — | EP | disclosed |
| EP-1483265-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003076442-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-09-18 | — | — | WO | disclosed |
| WO-2003076398-A2 | PYRROLE-2, 5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-09-18 | — | — | 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 (5 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-20050090483-A1 | Purine derivatives as kinase inhibitors | PNP, ADK, NME2 | CDK8 134/4885ROCK1 972/4885CHEK1 85/4885 |
| US-20110294792-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | PNP, ADK, NME2 | CDK8 134/4885ROCK1 972/4885CHEK1 85/4885 |
| US-20110207721-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | PNP, ADK, NME2 | CDK8 134/4885ROCK1 972/4885CHEK1 85/4885 |
| US-20090105229-A1 | PURINE DERIVATIVES AS KINASE INHIBITORS | PNP, ADK, NME2 | CDK8 134/4885ROCK1 972/4885CHEK1 85/4885 |
| US-20050288321-A1 | Kinase inhibitors | ABL1, MAP3K20, MAP3K19 | CDK8 74/4885ROCK1 383/4885CHEK1 54/4885 |
“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.