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 | |
|---|---|---|---|---|
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.31 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.31 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.31 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 2/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.32 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL956295 | 0.94 | ALK (0.32) | KCNA5ENPP1ADORA2AADORA1HRH3 | |
| SCHEMBL952583 | 0.94 | KCNA5 (0.36) | KCNA5ENPP1DRD3KDR | |
| SCHEMBL955622 | 0.93 | LTA4H (0.34) | PPARGENPP1ADORA2AADORA1AVPR1B | |
| SCHEMBL958287 | 0.93 | HTR1A (0.33) | KCNA5PPARGENPP1ADORA2AADORA1 | |
| SCHEMBL955494 | 0.93 | ENPP1 (0.31) | KCNA5ENPP1ADORA2AADORA1HRH3 | |
| SCHEMBL956777 | 0.92 | HRH3 (0.36) | LCKADORA2AADORA1AVPR1BHRH3 | |
| SCHEMBL956645 | 0.91 | CHEK1 (0.37) | ADORA2AADORA1AVPR1BHRH3FLT3 | |
| SCHEMBL954073 | 0.90 | ADCY10 (0.32) | ENPP1ADORA2AADORA1 | |
| SCHEMBL952131 | 0.88 | ALK (0.35) | LCKADORA2AADORA1HRH3DRD3 | |
| SCHEMBL951975 | 0.87 | SIGMAR1 (0.39) | KCNA5HRH3DRD3KDRESR1 |
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 | FLT1 1492/4885KDR 1800/4885FLT3 493/4885 |
| US-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | FLT1 237/4885KDR 195/4885FLT3 1469/4885 |
“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.