Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | HPGDS | O60760 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | RET | P07949 | 1/20 | 0.53 |
| ▸ | PI4KA | P42356 | 1/20 | 0.53 |
| ▸ | XDH | P47989 | 1/20 | 0.53 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.53 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.53 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.53 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.51 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | CDK9 | P50750 | 1/20 | 0.51 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10094590 | 0.85 | PDPK1 (1.00) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL14827602 | 0.76 | PDPK1 (0.66) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL10094121 | 0.76 | PDPK1 (0.66) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL30763272 | 0.74 | XDH (0.63) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL28839743 | 0.74 | XDH (0.63) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL6471191 | 0.74 | PDPK1 (0.62) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL13369827 | 0.73 | PDPK1 (0.61) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL2619226 | 0.72 | RET (0.61) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL10836838 | 0.71 | ALDH1A1 (0.73) | PDPK1ALDH1A1MKNK1MAPK1HPGDS | |
| SCHEMBL14036208 | 0.71 | HPGDS (0.68) | PDPK1ALDH1A1MAPK1HPGDSCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070037829-A1 | e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients | MERCK & CO., INC. (US) | 2007-02-15 | — | — | US | disclosed |
| EP-1656379-B1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2007-01-10 | — | — | EP | 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-20070037829-A1 | e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients | GRIN2B, GRIN3A, GRIN2A | PDPK1 846/4885ALDH1A1 636/4885MKNK1 1367/4885 |
“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.