Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5473901 | 0.88 | PDE4A (0.46) | ADORA1ADORA2APDE4APDE4BPDE4C | |
| Trifluoroacetic Acid SCHEMBL5483391 | 0.87 | PDE4A (0.48) | ADORA1ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL11924384 | 0.84 | PDE4A (0.51) | ADORA1ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL11924385 | 0.81 | TSHR (0.56) | ADORA1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11924394 | 0.80 | ADORA2A (0.53) | ADORA1ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL11924387 | 0.76 | ADORA1 (0.50) | ADORA1ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL13849106 | 0.74 | RXFP1 (0.52) | ADORA1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4027910 | 0.73 | CLK4 (0.54) | ADORA1ADORA2APDE4APDE4BPDE4C | |
| SCHEMBL11924411 | 0.72 | ACHE (0.56) | ADORA1ADORA2AKDM4EALDH1A1HTT | |
| SCHEMBL4029100 | 0.71 | ACHE (0.59) | ADORA1ADORA2AKDM4EALDH1A1HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130040992-A1 | Substituted 2, 6-Diamino-3, 5-Dicyano-4-Aryl-Pyridines And Their Use As Adenosine-Receptor-Selective Ligands | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-02-14 | — | — | US | disclosed |
| US-8242281-B2 | Substituted 2, 6-diamino-3, 5-dicyano-4-arylpyridines and their use as adenosine-receptor-selective ligands | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-08-14 | — | — | US | disclosed |
| EP-1373265-B1 | SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER HEALTHCARE AG (DE) | 2009-05-06 | — | — | EP | disclosed |
| US-20070213372-A1 | Substituted 2, 6-diamino-3, 5-dicyano-4-arylpyridines and their use as adenosine-receptor-selective ligands | BAYER AKTIENGESELLSCHAFT (DE) | 2007-09-13 | — | — | US | disclosed |
| US-20040162427-A1 | Substituted 2,6-diamino-3,5-dicyano-4-aryl-pyridines and their use as adenosine receptor-selective ligands | BAYER AKTIENGESELLSCHAFT (DE) | 2004-08-19 | — | — | US | disclosed |
| EP-1373265-A1 | SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | Bayer HealthCare AG (DE) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002070520-A1 | SUBSTITUTED 2,6-DIAMINO-3,5-DICYANO-4-ARYL-PYRIDINES AND THEIR USE AS ADENOSINE RECEPTOR-SELECTIVE LIGANDS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-12 | — | — | 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-20040162427-A1 | Substituted 2,6-diamino-3,5-dicyano-4-aryl-pyridines and their use as adenosine receptor-selective ligands | ADORA2A, ADORA3, ADORA1 | ADORA1 3/4885ADORA2A 1/4885PDE4A 178/4885 |
| US-20130040992-A1 | Substituted 2, 6-Diamino-3, 5-Dicyano-4-Aryl-Pyridines And Their Use As Adenosine-Receptor-Selective Ligands | ADORA3, ADORA1, ADORA2A | ADORA1 2/4885ADORA2A 3/4885PDE4A 115/4885 |
| US-20070213372-A1 | Substituted 2, 6-diamino-3, 5-dicyano-4-arylpyridines and their use as adenosine-receptor-selective ligands | ADORA3, ADORA1, ADORA2A | ADORA1 2/4885ADORA2A 3/4885PDE4A 128/4885 |
“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.