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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 known ✓ | P04049 | 9/20 | 0.40 |
| ▸ | BRAF known ✓ | P15056 | 9/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL954999 | 0.89 | PTGS2 (0.42) | PTGS2RAF1BRAFPTGS1TSHR | |
| SCHEMBL954204 | 0.78 | PTGS2 (0.35) | PTGS2PTGS1 | |
| SCHEMBL953101 | 0.76 | MAPK14 (0.36) | PTGS2PTGS1MAPTALDH1A1 | |
| SCHEMBL16937958 | 0.75 | PTGS2 (0.42) | PTGS2RAF1BRAFPTGS1TSHR | |
| SCHEMBL952215 | 0.75 | ALDH1A1 (0.41) | MAPTALDH1A1POLBGAA | |
| Hydrochloric Acid SCHEMBL952112 | 0.74 | ALDH1A1 (0.41) | MAPTALDH1A1POLBGAA | |
| SCHEMBL958115 | 0.74 | IKBKB (0.39) | PTGS2 | |
| SCHEMBL6842783 | 0.73 | PTGS2 (0.42) | PTGS2TSHRALDH1A1 | |
| SCHEMBL952694 | 0.72 | LDHA (0.34) | — | |
| SCHEMBL952459 | 0.71 | TSHR (0.52) | PTGS2PTGS1TSHRMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| EP-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | 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 (2 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-20110003807-A1 | Thiazole derivatives | MTOR, RICTOR, AKT2 | RAF1 219/4885BRAF 39/4885PTGS2 2116/4885 |
| US-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | RAF1 369/4885BRAF 301/4885PTGS2 310/4885 |
“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.