Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4566029 | 0.98 | XDH (0.41) | XDHALDH1A1PI4KAPI4K2BPI4K2A | |
| SCHEMBL9983137 | 0.87 | ALDH1A1 (0.37) | ALDH1A1AGTR1AGTR2ADORA3 | |
| SCHEMBL4927108 | 0.80 | ALDH1A1 (0.35) | XDHALDH1A1PI4KAPI4K2BPI4K2A | |
| SCHEMBL1763317 | 0.77 | GPR84 (0.38) | ALDH1A1KCNH2GPR84ADORA2A | |
| SCHEMBL5809434 | 0.77 | XDH (0.38) | XDHKCNH2GPR84RECQL | |
| SCHEMBL4566028 | 0.76 | XDH (0.45) | XDHALDH1A1ADORA3ADORA1ADORA2A | |
| SCHEMBL3258117 | 0.74 | XDH (0.41) | XDHALDH1A1PI4KAPI4K2BPI4K2A | |
| SCHEMBL7545123 | 0.74 | XDH (0.36) | XDHALDH1A1KCNH2GPR84ADORA3 | |
| SCHEMBL8041008 | 0.73 | HRH3 (0.36) | XDH | |
| SCHEMBL5809787 | 0.73 | CCNE2 (0.34) | PI4KAPI4K2BPI4K2API4KBKCNH2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010011620-A1 | 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2010-01-28 | — | — | WO | disclosed |
| US-20100015141-A1 | 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2010-01-21 | — | — | US | disclosed |
| EP-1675858-A2 | 5-ARYL-PYRAZOLO [4,3-D] PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005028480-A3 | 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORP (US) | 2005-06-02 | — | — | WO | disclosed |
| US-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | NEUROGEN CORPORATION | 2005-03-31 | — | — | US | disclosed |
| WO-2005028480-A2 | 5-ARYL-PYRAZOLO[4,3-D]PYRIMIDINES, PYRIDINES, AND PYRAZINES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |
| US-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | NEUROGEN CORPORATION | 2005-03-31 | — | — | US | 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-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | CRHR1, HTR5A, HTR1D | XDH 1283/4885ALDH1A1 1664/4885PI4KA 1543/4885 |
| US-20100015141-A1 | 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | MTOR, PIK3CA, PIK3CD | XDH 2371/4885ALDH1A1 3353/4885PI4KA 5/4885 |
“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.