Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | GUSB | P08236 | 3/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL578186 | 0.71 | MAPT (0.42) | NPC1MAPT | |
| SCHEMBL484215 | 0.71 | NPC1 (0.57) | NPC1CYP17A1CYP11B1CYP11B2GUSB | |
| SCHEMBL5850255 | 0.71 | NPC1 (0.79) | NPC1CYP17A1CYP11B1CYP11B2GUSB | |
| SCHEMBL446619 | 0.70 | NPC1 (1.00) | NPC1CYP17A1CYP11B1CYP11B2GUSB | |
| SCHEMBL30587350 | 0.70 | NPC1 (1.00) | NPC1CYP17A1CYP11B1CYP11B2GUSB | |
| SCHEMBL21250701 | 0.70 | NPC1 (0.60) | NPC1MAP3K11CA12CA1CA2 | |
| SCHEMBL577952 | 0.69 | MAPK14 (0.47) | NPC1MAPT | |
| SCHEMBL6643019 | 0.69 | ALDH1A1 (0.43) | NPC1MAPT | |
| SCHEMBL578048 | 0.69 | NQO2 (0.37) | NPC1MAPT | |
| SCHEMBL578014 | 0.69 | L3MBTL1 (0.57) | NPC1GUSB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4658037-B2 | — | — | 2011-03-23 | — | — | JP | claimed |
| EP-1599467-B1 | NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS | BAYER HEALTHCARE LLC (US) | 2010-05-19 | — | — | EP | claimed |
| JP-2006519264-A | — | — | 2006-08-24 | — | — | JP | claimed |
| EP-1599467-A1 | NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS | Bayer Pharmaceuticals Corporation (US) | 2005-11-30 | — | — | EP | claimed |
| US-20040235829-A1 | Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders | BAYER HEALTHCARE LLC | 2004-11-25 | — | — | US | claimed |
| WO-2004078747-A1 | NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-09-16 | — | — | WO | claimed |
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-20040235829-A1 | Novel cyanopyridine derivatives useful in the treatment of cancer and other disorders | VHL, HCCS, CDK4 | NPC1 2990/4885CYP17A1 4436/4885CYP11B1 2216/4885 |
“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.