Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.53 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.53 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 5/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 5/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 5/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 5/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 5/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | TOP1 | P11387 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 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 | |
|---|---|---|---|---|
| SCHEMBL3556332 | 0.84 | S1PR1 (0.56) | S1PR1S1PR3KIF11CNR1TOP1 | |
| SCHEMBL3559671 | 0.84 | S1PR1 (0.55) | S1PR1S1PR3KIF11CNR1TOP1 | |
| SCHEMBL3560497 | 0.82 | S1PR1 (0.59) | S1PR1S1PR3KIF11CNR1TOP1 | |
| SCHEMBL3563087 | 0.82 | IDO1 (0.39) | S1PR1S1PR3KIF11PSEN1PSEN2 | |
| SCHEMBL3563339 | 0.81 | KIF11 (0.46) | S1PR1S1PR3KIF11 | |
| SCHEMBL3285394 | 0.81 | S1PR1 (0.64) | S1PR1S1PR3KIF11CNR1IDO1 | |
| SCHEMBL3565887 | 0.81 | S1PR1 (0.50) | S1PR1S1PR3KIF11CNR1TOP1 | |
| SCHEMBL3572125 | 0.80 | CCNT1 (0.45) | KIF11PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3570446 | 0.80 | KIF11 (0.51) | KIF11TOP1 | |
| SCHEMBL3565278 | 0.80 | GRM2 (0.46) | S1PR1S1PR3PSEN1PSEN2APH1B |
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 | S1PR1 1042/4885S1PR3 1066/4885KIF11 3845/4885 |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GRM2, GRM1, GRM3 | S1PR1 306/4885S1PR3 276/4885KIF11 3339/4885 |
“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.