Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.37 |
| ▸ | MTOR | P42345 | 4/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 3/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.36 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.35 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 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 | |
|---|---|---|---|---|
| SCHEMBL3563372 | 0.92 | MAP4K4 (0.41) | NPBWR1TLR2TLR1PIK3CDPIK3CA | |
| Hydrochloric Acid SCHEMBL3558335 | 0.91 | MAP4K4 (0.41) | NPBWR1TLR2TLR1PIK3CDPIK3CA | |
| SCHEMBL3559978 | 0.89 | PIK3CA (0.47) | TLR2TLR1PIK3CAMTORAKT1 | |
| SCHEMBL3560228 | 0.83 | NPBWR1 (0.42) | NPBWR1TLR2TLR1PIK3CDPIK3CA | |
| SCHEMBL3564381 | 0.82 | KDM4E (0.43) | NPBWR1TLR2TLR1GCKGCKR | |
| SCHEMBL3567519 | 0.81 | NPBWR1 (0.38) | NPBWR1TLR2TLR1PIK3CDPIK3CA | |
| Hydrochloric Acid SCHEMBL3564339 | 0.81 | KDM4E (0.42) | NPBWR1TLR2TLR1GCKGCKR | |
| SCHEMBL3566786 | 0.81 | TLR2 (0.41) | NPBWR1TLR2TLR1PIK3CDPIK3CA | |
| Hydrochloric Acid SCHEMBL3569004 | 0.81 | NPBWR1 (0.38) | NPBWR1TLR2TLR1PIK3CDPIK3CA | |
| SCHEMBL3562383 | 0.81 | CA12 (0.50) | TLR2TLR1FEN1ALOX5AP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2468727-A1 | Pyridine and pyrimidine derivatives as MGLUR2 antagonists | F. Hoffmann-La Roche AG (CH) | 2012-06-27 | — | — | EP | claimed |
| US-8183262-B2 | Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine | HOFFMANN-LA ROCHE INC. (US) | 2012-05-22 | — | — | US | claimed |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GATTI MCARTHUR SILVIA | 2009-12-24 | — | — | US | claimed |
| US-20070232583-A1 | Pyridine and pyrimidine derivatives as mGIuR2 antagonists | HOFFMANN-LA ROCHE INC. | 2007-10-04 | — | — | US | claimed |
| EP-2468727-A1 | Pyridine and pyrimidine derivatives as MGLUR2 antagonists | F. Hoffmann-La Roche AG (CH) | 2012-06-27 | — | — | EP | disclosed |
| US-8183262-B2 | Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine | HOFFMANN-LA ROCHE INC. (US) | 2012-05-22 | — | — | US | disclosed |
| US-7642264-B2 | Phenyl-substituted pyrimidine derivatives as mGluR antagonists | HOFFMAN-LA ROCHE INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GATTI MCARTHUR SILVIA | 2009-12-24 | — | — | US | disclosed |
| EP-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| US-20070232583-A1 | Pyridine and pyrimidine derivatives as mGIuR2 antagonists | HOFFMANN-LA ROCHE INC. | 2007-10-04 | — | — | US | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 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 (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-20070232583-A1 | Pyridine and pyrimidine derivatives as mGIuR2 antagonists | P2RX2, P2RY2, P2RX1 | NPBWR1 289/4885TLR2 1649/4885TLR1 2579/4885 |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GRM2, GRM1, GRM3 | NPBWR1 175/4885TLR2 322/4885TLR1 471/4885 |
“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.