Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.68 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.68 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.58 |
| ▸ | PDE5A | O76074 | 1/20 | 0.55 |
| ▸ | PDE1A | P54750 | 1/20 | 0.55 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.55 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.55 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14509873 | 0.94 | ADORA2A (0.59) | ADORA3ADORA2BADORA2AALDH1A1PKM | |
| SCHEMBL13339760 | 0.90 | ADORA3 (0.55) | ADORA3ADORA2BADORA2AALDH1A1PKM | |
| SCHEMBL13914389 | 0.87 | ADORA2A (0.73) | ADORA3ADORA2BADORA2AALDH1A1ADORA1 | |
| SCHEMBL946969 | 0.83 | ADORA1 (0.65) | ADORA3ADORA2BADORA2AALDH1A1PKM | |
| SCHEMBL13913514 | 0.83 | ADORA1 (0.73) | ADORA3ADORA2BADORA2AALDH1A1ADORA1 | |
| SCHEMBL13914393 | 0.82 | ADORA2B (0.74) | ADORA3ADORA2BADORA2AALDH1A1ADORA1 | |
| SCHEMBL13914390 | 0.81 | ADORA2B (0.77) | ADORA3ADORA2BADORA2AADORA1PDE5A | |
| SCHEMBL4321220 | 0.81 | ADORA2B (1.00) | ADORA3ADORA2BADORA2AALDH1A1ADORA1 | |
| SCHEMBL14464876 | 0.81 | ALDH1A1 (0.63) | ADORA3ADORA2BADORA2AALDH1A1PKM | |
| SCHEMBL3556602 | 0.79 | ADORA2B (0.68) | ADORA3ADORA2BADORA2AALDH1A1ADORA1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989446-B2 | 4-amino 5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-02 | — | — | US | disclosed |
| US-7989446-B2 | 4-amino 5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-02 | — | — | US | disclosed |
| US-7834002-B2 | 4-amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-7834002-B2 | 4-amino-5-cyanopyrimidine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| US-7709504-B2 | Use of Substituted 2-thio-3,5-dicyano-4-phenyl-6-aminopyridines in the treatment of nausea and vomiting | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-05-04 | — | — | US | disclosed |
| EP-1765343-B1 | USE OF SUBSTITUTED 2-THIO-3,5-DICYANO-4-PHENYL-6-AMINOPYRIDINES IN THE TREATMENT OF NAUSEA AND VOMITING | BAYER SCHERING PHARMA AG (DE) | 2009-10-28 | — | — | EP | disclosed |
| US-20080249133-A1 | Use of Substituted 2-Thio-3,5-Dicyano-4-Phenyl-6-Aminopyridines In the Treatment of Nausea and Vomiting | BAYER HEALTHCARE AG (DE) | 2008-10-09 | — | — | US | disclosed |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-07-31 | — | — | US | disclosed |
| US-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-07-31 | — | — | US | disclosed |
| EP-1417173-B1 | SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2007-09-26 | — | — | EP | disclosed |
| EP-1417173-B1 | SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2007-09-26 | — | — | EP | disclosed |
| US-7045631-B2 | Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands | BAYER AKTIENGESELLSCHAFT (DE) | 2006-05-16 | — | — | US | disclosed |
| US-20040176417-A1 | Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2004-09-09 | — | — | US | disclosed |
| EP-1417173-A1 | SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | Bayer HealthCare AG (DE) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003008384-A1 | SUBSTITUTED 2-THIO-3, 5-DICYANO-4-PHENYL-6-AMINOPYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2003-01-30 | — | — | 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 (3 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-20080182854-A1 | 4-Amino-5-Cyanopyrimidine Derivatives | ADORA2A, ADORA1, ADORA3 | ADORA3 3/4885ADORA2B 4/4885ADORA2A 1/4885 |
| US-20040176417-A1 | Substituted 2-thio-3, 5-dicyano-4-phenyl-6-aminopyridines and their use as adenosine receptor-selective ligands | ADORA1, ADORA3, ADORA2A | ADORA3 2/4885ADORA2B 4/4885ADORA2A 3/4885 |
| US-20080249133-A1 | Use of Substituted 2-Thio-3,5-Dicyano-4-Phenyl-6-Aminopyridines In the Treatment of Nausea and Vomiting | TPMT, QDPR, KCNH1 | ADORA3 79/4885ADORA2B 276/4885ADORA2A 628/4885 |
“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.