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 | |
|---|---|---|---|---|
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.35 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL952610 | 0.94 | ADORA2A (0.37) | ADORA2AADORA1ADORA3ADORA2BJAK2 | |
| SCHEMBL956402 | 0.92 | ADORA2A (0.40) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL6842757 | 0.89 | FGFR1 (0.38) | ADORA2AADORA1ADORA3ADORA2BLMNA | |
| SCHEMBL952694 | 0.87 | LDHA (0.34) | MAPK1 | |
| SCHEMBL956645 | 0.87 | CHEK1 (0.37) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL6842762 | 0.86 | ALK (0.35) | ADORA2AADORA1ADORA3ADORA2BJAK2 | |
| SCHEMBL6842766 | 0.86 | HRH3 (0.35) | ADORA2AADORA1ADORA3ADORA2BCNR1 | |
| SCHEMBL6842761 | 0.86 | HRH3 (0.35) | ADORA2AADORA1NPC1RAB9ALCK | |
| SCHEMBL953783 | 0.86 | HRH3 (0.42) | ADORA2AADORA1ADORA3ADORA2BSRC | |
| SCHEMBL12918322 | 0.85 | LTA4H (0.36) | HIF1AKDM4E |
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 | JAK3 118/4885FLT3 493/4885ADORA2A 2838/4885 |
| US-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | JAK3 264/4885FLT3 1469/4885ADORA2A 1184/4885 |
“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.