Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4868155 | 0.94 | CA2 (0.34) | VCAM1CA2CA12CA1CA3 | |
| SCHEMBL1939205 | 0.86 | GSTO1 (0.42) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1938623 | 0.82 | VCAM1 (0.40) | VCAM1CA2SMN1; SMN2NPC1GAA | |
| SCHEMBL1938333 | 0.75 | CA2 (0.47) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1938337 | 0.74 | GSTO1 (0.39) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1939353 | 0.73 | VCAM1 (0.58) | VCAM1SMN1; SMN2NPC1GAA | |
| SCHEMBL1940129 | 0.71 | KDM4E (0.37) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1940985 | 0.71 | CFTR (0.35) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1940126 | 0.70 | PSEN1 (0.35) | CA2CA12CA1CA3CA4 | |
| SCHEMBL1939691 | 0.70 | ALDH1A1 (0.49) | CA2CA12CA9GAACHEK1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851225-B1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | claimed |
| JP-2008530042-A | — | — | 2008-08-07 | — | — | JP | claimed |
| US-7361659-B2 | Pyrrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-04-22 | — | — | US | claimed |
| EP-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | claimed |
| US-20060183756-A1 | Pyrrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | US | claimed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | WO | claimed |
| US-7361659-B2 | Pyrrazolo-pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-04-22 | — | — | US | disclosed |
| EP-1851225-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| US-20060183756-A1 | Pyrrazolo-pyrimidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | US | disclosed |
| WO-2006084634-A1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-17 | — | — | 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 (1 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-20060183756-A1 | Pyrrazolo-pyrimidine derivatives | GRM1, GRM2, GRM3 | VCAM1 4054/4885CA2 2897/4885CA12 4735/4885 |
“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.