Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2031466 | 0.86 | CTSK (0.37) | CTSKTSHRNR1H2NR1H3CHRM2 | |
| SCHEMBL1862955 | 0.86 | LMNA (0.40) | TSHRCHRM2ADRA2ADRD1HTR2A | |
| SCHEMBL31711364 | 0.83 | CETP (0.36) | CTSKTSHRNR1H2NR1H3ADRA2A | |
| SCHEMBL14108957 | 0.79 | CYP2C19 (0.40) | CTSKTSHRNR1H2NR1H3CHRM2 | |
| SCHEMBL31715974 | 0.76 | XPO1 (0.40) | CTSKNR1H2NR1H3PTGDR2KDM4E | |
| SCHEMBL2974934 | 0.76 | XPO1 (0.40) | CTSKNR1H2NR1H3PTGDR2KDM4E | |
| SCHEMBL17707980 | 0.70 | NPC1 (0.41) | TSHRKDM4EHPGDL3MBTL1HSD17B10 | |
| SCHEMBL1858748 | 0.69 | CFTR (0.41) | KDM4ELMNAALDH1A1L3MBTL1 | |
| SCHEMBL18833366 | 0.69 | CDK1 (0.38) | CTSKKDM4ESMN1; SMN2HPGD | |
| Ammonia Solution, Strong SCHEMBL3968047 | 0.68 | NR1H2 (0.37) | NR1H2NR1H3ALDH1A1 |
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-1841430-A4 | SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES | NEUROGEN CORP (US) | 2009-07-29 | — | — | EP | disclosed |
| US-20080175794-A1 | Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues | NEUROGEN CORPORATION (US) | 2008-07-24 | — | — | US | disclosed |
| US-20080175794-A1 | Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues | NEUROGEN CORPORATION (US) | 2008-07-24 | — | — | US | disclosed |
| US-20080175794-A1 | Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues | NEUROGEN CORPORATION (US) | 2008-07-24 | — | — | US | disclosed |
| EP-1841430-A2 | SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES | NEUROGEN CORPORATION (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006081388-A2 | SUBSTITUTED PYRIDAZINYL-AND PYRIMIDINYL-QUINOLIN-4-YLAMINE ANALOGUES | NEUROGEN CORPORATION (US) | 2006-08-03 | — | — | 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-20080175794-A1 | Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues | PIGS, HRH4, GPR68 | CTSK 2078/4885TSHR 125/4885NR1H2 1077/4885 |
“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.