Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CCKAR | P32238 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5415801 | 0.88 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1KMT2AHSD17B10 | |
| SCHEMBL5405421 | 0.87 | ADORA1 (0.53) | ADORA1KMT2ATLR7CCKARNPSR1 | |
| SCHEMBL5405217 | 0.87 | ADORA1 (0.50) | ADORA1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL5402200 | 0.85 | KMT2A (0.53) | ADORA1ALDH1A1KDM4ECYP2C9CYP2C19 | |
| SCHEMBL5405504 | 0.84 | PRKCZ (0.55) | ADORA1MEN1KMT2AHPGDCCKAR | |
| SCHEMBL5404432 | 0.84 | ADORA1 (0.52) | ADORA1TLR7TSHRCCKARNPSR1 | |
| SCHEMBL5400730 | 0.84 | ADORA1 (0.49) | ADORA1KMT2ATLR7CCKARTLR9 | |
| SCHEMBL27582134 | 0.83 | ADORA1 (0.48) | ADORA1ALDH1A1KDM4EKMT2ATLR7 | |
| SCHEMBL5404667 | 0.83 | ADORA1 (0.52) | ADORA1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL27582136 | 0.82 | ADORA1 (0.47) | ADORA1ALDH1A1KDM4EKMT2ATLR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | claimed |
| US-6743791-B2 | ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS | VERTEX PHARMACEUTICALS INCORPORATED | 2004-06-01 | — | — | US | claimed |
| US-20030092714-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-15 | — | — | US | claimed |
| EP-1363906-B1 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMA (US) | 2015-07-15 | — | — | EP | disclosed |
| US-20070265263-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | CAO JINGRONG | 2007-11-15 | — | — | US | disclosed |
| US-7253187-B2 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-08-07 | — | — | US | disclosed |
| US-20040229875-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-11-18 | — | — | 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 (3 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-20070265263-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | MAPK1, MAPK3, MAPKAPK2 | ADORA1 4421/4885ALDH1A1 3899/4885KDM4E 4090/4885 |
| US-20040229875-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | MAPK1, MAPK3, MAP2K2 | ADORA1 4106/4885ALDH1A1 2909/4885KDM4E 3549/4885 |
| US-20030092714-A1 | Heterocyclic inhibitors of ERK2 and uses thereof | MAPK1, MAPK3, MAP2K2 | ADORA1 4106/4885ALDH1A1 2909/4885KDM4E 3549/4885 |
“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.