Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 11/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 11/20 | 0.54 |
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | P4HB | P07237 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3559782 | 1.00 | CYP1A1 (0.54) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL17064490 | 0.77 | HTT (0.51) | CYP1A1CYP1B1 | |
| SCHEMBL17064488 | 0.77 | HTT (0.51) | CYP1A1CYP1B1 | |
| SCHEMBL17064498 | 0.77 | MAPT (0.52) | CYP1B1MAOB | |
| SCHEMBL17064497 | 0.77 | MAPT (0.52) | CYP1B1MAOB | |
| SCHEMBL3563636 | 0.75 | CYP1A1 (0.61) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL11092186 | 0.75 | CYP1A1 (0.65) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL11092190 | 0.75 | CYP1A1 (0.65) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL3563640 | 0.75 | CYP1A1 (0.61) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL7228800 | 0.74 | CES2 (0.59) | CYP1A1CYP1B1MAOBP4HBCES2 |
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 19 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-8063048-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2010-08-19 | — | — | US | disclosed |
| US-7718661-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-05-18 | — | — | US | disclosed |
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | 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-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | GATTI MCARTHUR SILVIA | 2008-12-04 | — | — | US | disclosed |
| US-7446113-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2008-11-04 | — | — | US | disclosed |
| EP-1863818-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-12-12 | — | — | 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 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | MCARTHUR SILVIA G | 2007-07-19 | — | — | US | disclosed |
| US-7238808-B2 | Acetylenyl-pyrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-07-03 | — | — | US | disclosed |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2006-09-28 | — | — | US | disclosed |
| WO-2006099972-A1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-09-28 | — | — | 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 (6 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 | CYP1A1 1556/4885CYP1B1 668/4885MAOB 155/4885 |
| US-20100210642-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | CYP1A1 303/4885CYP1B1 279/4885MAOB 20/4885 |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GRM2, GRM1, GRM3 | CYP1A1 2671/4885CYP1B1 1705/4885MAOB 705/4885 |
| US-20080300250-A1 | ACETYLENYL-PYRAZOLO-PYRIMIDINE DERIVATIVES | NAT1, TPMT, ACAT1 | CYP1A1 303/4885CYP1B1 279/4885MAOB 20/4885 |
| US-20060217387-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, TPMT, ACAT1 | CYP1A1 303/4885CYP1B1 279/4885MAOB 20/4885 |
| US-20070167460-A1 | Acetylenyl-pyrazolo-pyrimidine derivatives | NAT1, ADORA2B, TPMT | CYP1A1 226/4885CYP1B1 177/4885MAOB 65/4885 |
“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.