Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Semapimod. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.62 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.62 |
| ▸ | AURKA | O14965 | 1/20 | 0.62 |
| ▸ | CHUK | O15111 | 1/20 | 0.62 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.62 |
| ▸ | JAK2 | O60674 | 1/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.62 |
| ▸ | PAK4 | O96013 | 1/20 | 0.62 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.62 |
| ▸ | CDK1 | P06493 | 1/20 | 0.62 |
| ▸ | PIM1 | P11309 | 1/20 | 0.62 |
| ▸ | PRKACA | P17612 | 1/20 | 0.62 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.62 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.62 |
| ▸ | CDK2 | P24941 | 1/20 | 0.62 |
| ▸ | MARK3 | P27448 | 1/20 | 0.62 |
| ▸ | AKT1 | P31749 | 1/20 | 0.62 |
| ▸ | AKT2 | P31751 | 1/20 | 0.62 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.62 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Semapimod SCHEMBL6356573 | 1.00 | PLK4 (0.62) | PLK4CHEK1AURKACHUKDAPK3 | |
| SCHEMBL11989635 | 0.99 | PLK4 (0.63) | PLK4CHEK1AURKACHUKDAPK3 | |
| Semapimod SCHEMBL6150586 | 0.99 | PLK4 (0.63) | PLK4CHEK1AURKACHUKDAPK3 | |
| Semapimod SCHEMBL12201344 | 0.99 | PLK4 (0.63) | PLK4CHEK1AURKACHUKDAPK3 | |
| SCHEMBL11989623 | 0.97 | PLK4 (0.64) | PLK4CHEK1AURKACHUKDAPK3 | |
| SCHEMBL11989628 | 0.95 | PLK4 (0.59) | PLK4CHEK1AURKACHUKDAPK3 | |
| SCHEMBL11989630 | 0.95 | PLK4 (0.59) | PLK4CHEK1AURKACHUKDAPK3 | |
| SCHEMBL13248987 | 0.95 | PLK4 (0.59) | PLK4CHEK1AURKACHUKDAPK3 | |
| SCHEMBL24681759 | 0.94 | PLK4 (0.58) | PLK4CHEK1AURKACHUKDAPK3 | |
| SCHEMBL16207216 | 0.94 | PLK4 (0.58) | PLK4CHEK1AURKACHUKDAPK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050261762-A1 | Medical devices to prevent or inhibit restenosis | MEDTRONIC VASCULAR, INC. (US) | 2005-11-24 | — | — | US | disclosed |
| US-6319894-B1 | ENHANCED THERAPEUTIC ACTIVITY OF THE SMALL MOLECULE DRUG; FOR SCREENING FOR THERAPEUTICALLY ACTIVE SMALL MOLECULE COMPOUNDS BY MEANS OF BINDING TO FETUIN | THE PICOWER INSTITUTE FOR MEDICAL RESEARCH | 2001-11-20 | — | — | US | disclosed |