Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | MYLK | Q15746 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | THPO | P40225 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4210852 | 0.87 | PTGES2 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1938338 | 0.85 | ALDH1A1 (0.40) | CYP2D6CYP2C9CYP2C19RAD51KMT2A | |
| SCHEMBL1939210 | 0.81 | ALDH1A1 (0.51) | CYP2C9CYP2C19NPSR1RAD51KMT2A | |
| SCHEMBL1940976 | 0.80 | IKBKB (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1938603 | 0.71 | PSEN1 (0.38) | PTGES2 | |
| SCHEMBL21773082 | 0.70 | LMNA (0.53) | TSHRHTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL1938334 | 0.70 | CA2 (0.44) | PTGES2 | |
| SCHEMBL21453442 | 0.70 | CA1 (0.33) | CYP3A4HSD17B10TSHRALDH1A1PTGES2 | |
| SCHEMBL8300222 | 0.70 | PTGES2 (0.43) | CYP2C19RAD51KMT2AMEN1TSHR | |
| Hydrochloric Acid SCHEMBL6369828 | 0.69 | TPSAB1 (0.61) | CYP3A4CYP2D6TP53THPONFKB1 |
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 | CYP3A4 419/4885CYP2D6 385/4885CYP2C9 650/4885 |
“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.