Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.83 |
| ▸ | PTGIR known ✓ | P43119 | 2/20 | 0.83 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.83 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.83 |
| ▸ | CKS1B | P61024 | 8/20 | 0.83 |
| ▸ | SKP1 | P63208 | 8/20 | 0.83 |
| ▸ | SKP2 | Q13309 | 8/20 | 0.83 |
| ▸ | CNR1 | P21554 | 4/20 | 0.83 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.83 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.83 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.83 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.83 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.83 |
| ▸ | HTR1A | P08908 | 1/20 | 0.83 |
| ▸ | HTR2A | P28223 | 1/20 | 0.83 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.83 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.83 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.83 |
| ▸ | HTR2B | P41595 | 1/20 | 0.83 |
| ▸ | DRD1 | P21728 | 1/20 | 0.74 |
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 | |
|---|---|---|---|---|
| Selexipag SCHEMBL29360518 | 0.91 | CKS1B (1.00) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL5214497 | 0.91 | CKS1B (0.86) | CKS1BSKP1SKP2CNR1NR1I2 | |
| Selexipag SCHEMBL674122 | 0.91 | CKS1B (1.00) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL5212176 | 0.90 | CKS1B (0.84) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL19820816 | 0.90 | CKS1B (0.98) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL5213604 | 0.90 | CKS1B (0.84) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL5211279 | 0.90 | CKS1B (0.84) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL5210832 | 0.89 | CKS1B (0.83) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL5210755 | 0.89 | CKS1B (0.83) | CKS1BSKP1SKP2CNR1NR1I2 | |
| SCHEMBL5214759 | 0.88 | CNR1 (0.78) | CKS1BSKP1SKP2CNR1NR1I2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1400518-B1 | HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES | NIPPON SHINYAKU CO LTD (JP) | 2007-01-17 | — | — | EP | claimed |
| EP-1400518-A1 | HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES | Nippon Shinyaku Co., Ltd. (JP) | 2004-03-24 | — | — | EP | claimed |
| EP-1636213-B1 | 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY | WARNER LAMBERT CO (US) | 2007-06-13 | — | — | EP | disclosed |
| EP-1400518-B1 | HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES | NIPPON SHINYAKU CO LTD (JP) | 2007-01-17 | — | — | EP | disclosed |
| EP-1636213-A1 | 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY | Warner-Lambert Company LLC (US) | 2006-03-22 | — | — | EP | disclosed |
| US-20040259926-A1 | 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents | BRUENDL MICHELLE M (US) | 2004-12-23 | — | — | US | disclosed |
| WO-2004108715-A1 | 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY | WARNER-LAMBERT COMPANY LLC (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040102436-A1 | Heterocyclic compound derivatives and medicines | NIPPON SHINYAKU CO., LTD. (JP) | 2004-05-27 | — | — | US | disclosed |
| EP-1400518-A1 | HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES | Nippon Shinyaku Co., Ltd. (JP) | 2004-03-24 | — | — | 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 (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-20040259926-A1 | 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents | MALT1, CYP1B1, CYP4B1 | ADORA3 766/4885PTGIR 430/4885PDE4D 4239/4885 |
| US-20040102436-A1 | Heterocyclic compound derivatives and medicines | CNR2, CNR1, GPR55 | ADORA3 279/4885PTGIR 30/4885PDE4D 1426/4885 |
“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.