Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | CASP4 | P49662 | 1/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.54 |
| ▸ | CASP9 | P55211 | 1/20 | 0.54 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.45 |
| ▸ | PTPRC | P08575 | 3/20 | 0.45 |
| ▸ | S100A4 | P26447 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1679791 | 0.84 | CASP3 (0.50) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL2144620 | 0.81 | CASP1 (0.49) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL1953078 | 0.80 | CASP3 (0.54) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL15543815 | 0.78 | CASP1 (0.53) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL516995 | 0.77 | CASP1 (0.63) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL29945629 | 0.77 | CASP1 (0.63) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL7650360 | 0.76 | NR1H2 (0.43) | CASP1CASP7NR1H2NR1H3TDP1 | |
| SCHEMBL12733652 | 0.76 | NR1H2 (0.51) | CASP3CASP1CASP4CASP7CASP9 | |
| Nitric Acid SCHEMBL11732246 | 0.75 | ALDH1A1 (0.41) | CASP3CASP1CASP4CASP7CASP9 | |
| SCHEMBL30539489 | 0.75 | CYP3A4 (0.60) | CASP3CASP1CASP4CASP7CASP9 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070105865-A1 | Substituted bicyclic quinazolin-4-ylamine derivatives | NEUROGEN CORPORATION (US) | 2007-05-10 | — | — | US | disclosed |
| US-20070105865-A1 | Substituted bicyclic quinazolin-4-ylamine derivatives | NEUROGEN CORPORATION (US) | 2007-05-10 | — | — | US | disclosed |
| US-20070105865-A1 | Substituted bicyclic quinazolin-4-ylamine derivatives | NEUROGEN CORPORATION (US) | 2007-05-10 | — | — | US | disclosed |
| EP-1678173-A2 | 4-HETEROBICYCLYLAMINO-SUBSTITUTED QUINAZOLINES AND ANALOGUES THEREOF AS CAPSAICIN-ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005023807-A2 | 4 - HETEROBICYCLYAMINO - SUBSTITUTED QUINAZOLINES AND ANALOGUES THEROF AS CAPSAICIN - ANTAGONISTS | NEUROGEN CORPORATION (US) | 2005-03-17 | — | — | WO | disclosed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| US-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| EP-0971897-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998041507-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | 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 (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-20070105865-A1 | Substituted bicyclic quinazolin-4-ylamine derivatives | PIGS, HRH4, GPR35 | CASP3 3736/4885CASP1 2684/4885CASP4 2957/4885 |
“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.