Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 2/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 3/20 | 0.40 |
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.38 |
| ▸ | CLK3 | P49761 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5801247 | 0.91 | NOS1 (0.46) | ITKTRPA1METAP2NOS1CSNK2A1 | |
| SCHEMBL30548034 | 0.84 | ITK (0.50) | ITKMAPK10RIPK1LRRK2GSK3B | |
| SCHEMBL2870356 | 0.84 | ITK (0.50) | ITKMAPK10RIPK1LRRK2GSK3B | |
| SCHEMBL774832 | 0.74 | TRPA1 (0.54) | HSP90AA1IDO1CDK2TRPA1METAP2 | |
| SCHEMBL29740998 | 0.74 | TRPA1 (0.54) | HSP90AA1IDO1CDK2TRPA1METAP2 | |
| Hydrochloric Acid SCHEMBL5419653 | 0.73 | TRPA1 (0.53) | HSP90AA1IDO1CDK2TRPA1METAP2 | |
| SCHEMBL30548023 | 0.72 | TTK (0.51) | ITKTRPA1METAP2NOS1MAPK10 | |
| SCHEMBL11963314 | 0.72 | TTK (0.51) | ITKTRPA1METAP2NOS1MAPK10 | |
| SCHEMBL29941668 | 0.71 | NOS1 (0.53) | HSP90AA1IDO1CDK2METAP2NOS1 | |
| SCHEMBL578190 | 0.71 | NOS1 (0.53) | HSP90AA1IDO1CDK2METAP2NOS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3536319-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-09-11 | — | — | EP | disclosed |
| US-8999966-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-04-07 | — | — | US | disclosed |
| US-20130237518-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP | 2013-09-12 | — | — | US | disclosed |
| EP-2632268-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058127-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | 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-20130237518-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK4, MAP3K20 | ITK 1945/4885HSP90AA1 1983/4885IDO1 3102/4885 |
“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.