Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.79 |
| ▸ | ADORA1 | P30542 | 14/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 3/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.43 |
| ▸ | WNT1 | P04628 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1489955 | 0.88 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL3096918 | 0.83 | ADORA2A (0.79) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL1489788 | 0.83 | ADORA2A (0.75) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL1489704 | 0.82 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BKCNH2 | |
| SCHEMBL1489790 | 0.82 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BKCNH2 | |
| SCHEMBL1489482 | 0.82 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BKCNH2 | |
| SCHEMBL1489424 | 0.81 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BKCNH2 | |
| SCHEMBL1489574 | 0.81 | ADORA2A (0.51) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL1489509 | 0.81 | ADORA2A (0.93) | ADORA2AADORA1ADORA3ADORA2BKCNH2 | |
| SCHEMBL1489839 | 0.80 | ADORA2A (0.70) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 |
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-1888565-B1 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL SA (ES) | 2011-03-23 | — | — | EP | disclosed |
| US-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | disclosed |
| US-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | disclosed |
| US-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ALMIRALL, S.A. (ES) | 2008-11-06 | — | — | US | disclosed |
| EP-1888565-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006110884-A2 | 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-10-19 | — | — | 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-20080275064-A1 | Substituted Pyrimidines as Adenosine Receptor Antagonists | ADORA2A, ADORA3, ADORA1 | ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885 |
“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.