Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 18/20 | 0.90 |
| ▸ | PDE4B | Q07343 | 18/20 | 0.90 |
| ▸ | PDE4C | Q08493 | 18/20 | 0.90 |
| ▸ | PDE4D | Q08499 | 18/20 | 0.90 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.90 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.90 |
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 | |
|---|---|---|---|---|
| SCHEMBL6178537 | 1.00 | PDE4A (0.90) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4027149 | 0.95 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4027145 | 0.95 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4027148 | 0.95 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL29684788 | 0.95 | PDE4A (1.00) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4030289 | 0.86 | PDE4A (0.82) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4030287 | 0.86 | PDE4A (0.82) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4031387 | 0.86 | PDE4A (0.82) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4031390 | 0.86 | PDE4A (0.82) | PDE4APDE4BPDE4CPDE4DCYP2C9 | |
| SCHEMBL4031380 | 0.86 | PDE4A (0.82) | PDE4APDE4BPDE4CPDE4DCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1345933-B1 | PROCESS FOR MAKING SUBSTITUTED 8-ARYLQUINOLINIUM BENZENESULFONATE | MERCK & CO INC (US) | 2005-06-22 | — | — | EP | disclosed |
| US-6835837-B2 | Antiallergens; antiinflammatory agents; skin disorders; osteoporosis | MERCK & CO. INC. | 2004-12-28 | — | — | US | disclosed |
| US-20040044213-A1 | Process for making substituted 8-arylquinolinium benzenesulfonate | MERCK SHARP & DOHME CORP. | 2004-03-04 | — | — | US | disclosed |
| EP-1345933-A2 | PROCESS FOR MAKING SUBSTITUTED 8-ARYLQUINOLINIUM BENZENESULFONATE | Merck & Co., Inc. (US) | 2003-09-24 | — | — | EP | disclosed |
| US-20030097001-A1 | Process for making substituted 8-arylquinolinium benzenesulfonate | DESMOND RICHARD (US) | 2003-05-22 | — | — | US | disclosed |
| WO-2002060897-A2 | PROCESS FOR MAKING SUBSTITUTED 8-ARYLQUINOLINIUM BENZENESULFONATE | MERCK & CO., INC. (US) | 2002-08-08 | — | — | 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-20030097001-A1 | Process for making substituted 8-arylquinolinium benzenesulfonate | QARS1, ARSA, ABL1 | PDE4A 3209/4885PDE4B 2935/4885PDE4C 3221/4885 |
| US-20040044213-A1 | Process for making substituted 8-arylquinolinium benzenesulfonate | QARS1, ARSA, ABL1 | PDE4A 3209/4885PDE4B 2935/4885PDE4C 3221/4885 |
“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.