Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 18/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3231504 | 0.90 | ADORA1 (0.60) | ADORA1SLC6A3MEN1NPC1ALDH1A1 | |
| SCHEMBL382805 | 0.90 | ADORA1 (0.68) | ADORA1SLC6A3 | |
| SCHEMBL13456496 | 0.90 | ADORA1 (0.68) | ADORA1SLC6A3 | |
| SCHEMBL13456296 | 0.89 | ADORA1 (0.69) | ADORA1SLC6A3 | |
| SCHEMBL12910846 | 0.89 | ADORA1 (0.52) | ADORA1SLC6A3MEN1NPC1ALDH1A1 | |
| SCHEMBL3214954 | 0.88 | ADORA1 (0.59) | ADORA1SLC6A3 | |
| SCHEMBL3215553 | 0.87 | ADORA1 (0.53) | ADORA1SLC6A3MEN1NPC1ALDH1A1 | |
| SCHEMBL13429058 | 0.84 | ADORA1 (0.59) | ADORA1SLC6A3 | |
| SCHEMBL12910794 | 0.84 | ADORA1 (0.59) | ADORA1SLC6A3 | |
| SCHEMBL13429014 | 0.84 | ADORA1 (0.55) | ADORA1SLC6A3MEN1NPC1ALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8703934-B2 | Substituted 4-amino-3,5-dicyano-2-thiopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-04-22 | — | — | US | disclosed |
| US-8703934-B2 | Substituted 4-amino-3,5-dicyano-2-thiopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-04-22 | — | — | US | disclosed |
| US-8609686-B2 | Substituted azabicyclic compounds and the use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-12-17 | — | — | US | disclosed |
| EP-2099781-B1 | SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER IP GMBH (DE) | 2012-10-24 | — | — | EP | disclosed |
| EP-2099781-B1 | SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER IP GMBH (DE) | 2012-10-24 | — | — | EP | disclosed |
| EP-2235011-B1 | SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS | Bayer Pharma AG (DE) | 2012-01-25 | — | — | EP | disclosed |
| EP-2235011-B1 | SUBSTITUTED PYRROLO[2, 3-B]AND PYRAZOLO[3, 4-B]PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS | Bayer Pharma AG (DE) | 2012-01-25 | — | — | EP | disclosed |
| US-20110003845-A1 | SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-06 | — | — | US | disclosed |
| US-20110003845-A1 | SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-06 | — | — | US | disclosed |
| US-20100069363-A1 | SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-03-18 | — | — | US | disclosed |
| US-20100069363-A1 | SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-03-18 | — | — | US | disclosed |
| WO-2009080197-A1 | SUBSTITUTED PYRROLO[2, 3-B] AND PYRAZOLO[3, 4-B] PYRIDINES FOR USE AS ADENOSINE RECEPTOR LIGANDS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-02 | — | — | WO | disclosed |
| WO-2008064789-A1 | SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-05 | — | — | 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-20100069363-A1 | SUBSTITUTED 4-AMINO-3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | QDPR, DDC, TPMT | ADORA1 1199/4885SLC6A3 235/4885MEN1 3087/4885 |
| US-20110003845-A1 | SUBSTITUTED AZABICYCLIC COMPOUNDS AND THE USE THEREOF | PPIP5K2, TPMT, PNPO | ADORA1 2110/4885SLC6A3 3269/4885MEN1 3728/4885 |
“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.