Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | KMO | O15229 | 3/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3564378 | 0.81 | ADORA2A (0.45) | AHRNPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL3559995 | 0.81 | AHR (0.54) | AHRCYP1B1NPC1RAB9AGRM2 | |
| SCHEMBL4658006 | 0.77 | AHR (0.37) | AHRCYP1B1NPC1RAB9AGRM2 | |
| SCHEMBL3565746 | 0.76 | COMT (0.37) | AHRCYP1B1NPC1RAB9AGRM2 | |
| SCHEMBL23584256 | 0.73 | LMNA (0.44) | NPC1RAB9ACYP1A2MAPTCYP2C9 | |
| SCHEMBL20402775 | 0.72 | MAPT (0.44) | NPC1RAB9APDGFRBPDGFRAMAPT | |
| SCHEMBL29769221 | 0.71 | AHR (1.00) | AHRCYP1B1NPC1RAB9AKMO | |
| SCHEMBL137915 | 0.71 | AHR (1.00) | AHRCYP1B1NPC1RAB9AKMO | |
| SCHEMBL3560217 | 0.70 | KIF11 (0.46) | NPC1RAB9AGRM2CYP1A2MAPT | |
| SCHEMBL3559988 | 0.69 | RAB9A (0.45) | AHRCYP1B1NPC1RAB9AKMO |
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 | AHR 2125/4885CYP1B1 668/4885NPC1 1995/4885 |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GRM2, GRM1, GRM3 | AHR 1564/4885CYP1B1 1705/4885NPC1 2090/4885 |
“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.