Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 3/20 | 0.35 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3923675 | 0.86 | GRM5 (0.45) | PDE10ADYRK1BCYP2D6GSK3BCREBBP | |
| SCHEMBL5219693 | 0.79 | PDE10A (0.44) | PDE10ADYRK1BCYP2D6MKNK1GSK3B | |
| SCHEMBL5222668 | 0.78 | NPC1 (0.45) | DYRK1BGRM4 | |
| SCHEMBL5216560 | 0.78 | DYRK1B (0.44) | PDE10ADYRK1BMKNK1GRM4 | |
| SCHEMBL5670069 | 0.77 | PDE10A (0.42) | PDE10ADYRK1BGRM4 | |
| SCHEMBL5218681 | 0.76 | PDE10A (0.39) | PDE10ADYRK1BCYP2D6CREBBP | |
| SCHEMBL5220318 | 0.75 | DYRK1B (0.41) | PDE10ADYRK1BCYP2D6GRM4 | |
| SCHEMBL5215386 | 0.74 | PDE10A (0.47) | PDE10ADYRK1BMKNK1GRM4 | |
| SCHEMBL5215633 | 0.72 | DYRK1B (0.40) | PDE10ADYRK1BNMT1GRM4 | |
| SCHEMBL5219719 | 0.72 | MAPT (0.43) | PDE10ADYRK1BGRM4CREBBP |
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-1458383-B1 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-11-21 | — | — | EP | claimed |
| EP-1458383-A4 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-05-25 | — | — | EP | claimed |
| US-20050026963-A1 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME LLC | 2005-02-03 | — | — | US | claimed |
| EP-1458383-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | claimed |
| WO-2003051833-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | claimed |
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | 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 (1 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-20050026963-A1 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2C | PDE10A 964/4885DYRK1B 1802/4885CYP2D6 1506/4885 |
“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.