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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | STS | P08842 | 2/20 | 0.43 |
| ▸ | TACR1 | P25103 | 3/20 | 0.43 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30693188 | 1.00 | RORC (0.46) | RORCSTSTACR1MMP13TGFBR1 | |
| SCHEMBL1971128 | 0.93 | GPR119 (0.47) | RORCSTSMMP13GPR119KMT2A | |
| SCHEMBL30693162 | 0.93 | GPR119 (0.47) | RORCSTSMMP13GPR119KMT2A | |
| SCHEMBL30693138 | 0.91 | MMP13 (0.45) | RORCSTSMMP13GPR119KMT2A | |
| SCHEMBL1970276 | 0.91 | MMP13 (0.45) | RORCSTSMMP13GPR119KMT2A | |
| SCHEMBL30693146 | 0.91 | MMP13 (0.45) | RORCSTSMMP13GPR119KMT2A | |
| SCHEMBL1971592 | 0.91 | MMP13 (0.45) | RORCSTSMMP13GPR119KMT2A | |
| SCHEMBL30693148 | 0.89 | STS (0.51) | STSMMP13GPR119KMT2AMAPT | |
| SCHEMBL1970746 | 0.89 | STS (0.51) | STSMMP13GPR119KMT2AMAPT | |
| SCHEMBL1971423 | 0.89 | MMP13 (0.47) | RORCSTSTACR1MMP13GPR119 |
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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| EP-2336105-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | Takeda Pharmaceutical Company Limited (JP) | 2011-06-22 | — | — | EP | 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-20110178060-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME | NTSR2, BDKRB1, AVPR1B | RORC 3261/4885STS 2213/4885TACR1 13/4885 |
“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.