Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.66 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.66 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.66 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.66 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.66 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.66 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.61 |
| ▸ | P4HB | P07237 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 8/20 | 0.56 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1405021 | 1.00 | CYP1A2 (0.72) | CYP1A2HDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL1405020 | 1.00 | CYP1A2 (0.72) | CYP1A2HDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL1742683 | 0.87 | CYP1A2 (0.57) | CYP1A2HDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL27092067 | 0.85 | GLA (0.53) | CYP1A2HDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL8781291 | 0.84 | CYP1A2 (1.00) | CYP1A2HDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL31258594 | 0.84 | CYP1A2 (1.00) | CYP1A2HDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL8781296 | 0.84 | CYP1A2 (1.00) | CYP1A2HDAC3ADAM17HDAC1HDAC2 | |
| SCHEMBL1359336 | 0.83 | GLA (0.77) | CYP1A2HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL1359335 | 0.83 | GLA (0.77) | CYP1A2HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL80570 | 0.82 | CYP1A2 (0.75) | CYP1A2HDAC3ADAM17HDAC1HDAC2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2001849-B1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-11-26 | — | — | EP | disclosed |
| 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 | CYP1A2 224/4885HDAC3 2788/4885ADAM17 4726/4885 |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GRM2, GRM1, GRM3 | CYP1A2 1325/4885HDAC3 1532/4885ADAM17 4793/4885 |
“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.