Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | ERBB2 known ✓ | P04626 | 5/20 | 0.69 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.69 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5522075 | 1.00 | ERBB2 (0.69) | ERBB2MINK1MMP2MMP9MMP1 | |
| Mubritinib SCHEMBL6762423 | 0.93 | ERBB2 (0.80) | ERBB2MINK1 | |
| Mubritinib SCHEMBL6762417 | 0.93 | ERBB2 (0.80) | ERBB2MINK1 | |
| SCHEMBL5523702 | 0.92 | ERBB2 (0.75) | ERBB2MINK1MMP2MMP9MMP1 | |
| SCHEMBL5523704 | 0.92 | ERBB2 (0.75) | ERBB2MINK1MMP2MMP9MMP1 | |
| SCHEMBL5046863 | 0.91 | ERBB2 (0.55) | ERBB2MINK1MMP2MMP9MMP1 | |
| SCHEMBL5046860 | 0.91 | ERBB2 (0.55) | ERBB2MINK1MMP2MMP9MMP1 | |
| SCHEMBL5969886 | 0.90 | ERBB2 (0.67) | ERBB2MINK1PPARGPPARA | |
| SCHEMBL5524354 | 0.89 | ERBB2 (0.85) | ERBB2MINK1CYP19A1PPARGPPARA | |
| SCHEMBL5524357 | 0.89 | ERBB2 (0.85) | ERBB2MINK1CYP19A1PPARGPPARA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7205325-B2 | Oxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-04-17 | — | — | US | claimed |
| JP-2006515019-A | — | — | 2006-05-18 | — | — | JP | claimed |
| EP-1613623-A1 | NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-11 | — | — | EP | claimed |
| US-20040209933-A1 | Oxazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-21 | — | — | US | claimed |
| WO-2004085434-A1 | NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-07 | — | — | WO | claimed |
| US-7205325-B2 | Oxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-04-17 | — | — | US | disclosed |
| EP-1613623-A1 | NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-11 | — | — | EP | disclosed |
| US-20040209933-A1 | Oxazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-21 | — | — | US | disclosed |
| WO-2004085434-A1 | NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-07 | — | — | 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-20040209933-A1 | Oxazole derivatives | OXA1L, SULT1E1, CYP3A7 | ERBB2 1048/4885MINK1 1545/4885MMP2 2915/4885 |
“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.