Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9903636 | 0.77 | GRM5 (0.47) | PDE10AKDM4E | |
| SCHEMBL1990213 | 0.75 | KIT (0.46) | — | |
| SCHEMBL6315893 | 0.75 | DYRK1A (0.40) | — | |
| SCHEMBL1994499 | 0.74 | PDE10A (0.39) | PDE10AKDM4EGAACYP2C19 | |
| SCHEMBL9903818 | 0.73 | GRM5 (0.37) | — | |
| SCHEMBL1989570 | 0.72 | KDM4E (0.40) | KDM4E | |
| SCHEMBL9903515 | 0.69 | GRM5 (0.43) | — | |
| SCHEMBL9902683 | 0.69 | GRM5 (0.36) | PDE10AKDM4EGAA | |
| SCHEMBL9903492 | 0.69 | GRM5 (0.36) | PDE10AKDM4E | |
| SCHEMBL2322291 | 0.68 | GRM5 (0.40) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513102-B1 | ETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2015-08-19 | — | — | EP | disclosed |
| US-8933094-B2 | Ethynyl compounds useful for treatment of CNS disorder | HOFFMANN-LA ROCHE INC. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | HOFFMANN-LA ROCHE INC. (US) | 2014-03-13 | — | — | US | disclosed |
| US-8586581-B2 | Ethynyl compounds useful for treatment of CNS disorders | Hoffmann-La Roche Inc (US) | 2013-11-19 | — | — | US | disclosed |
| EP-2513102-A1 | ETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073172-A1 | ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | WO | disclosed |
| US-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | HOFFMANN-LA ROCHE, INC. | 2011-06-23 | — | — | 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-20110152257-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS | GRM5, GRIK5, GRM1 | PDE10A 772/4885KDM4E 1409/4885GAA 1889/4885 |
| US-20140073638-A1 | ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER | GRM5, GRIK5, GRM1 | PDE10A 771/4885KDM4E 1296/4885GAA 1756/4885 |
“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.