Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.38 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12188017 | 0.85 | ADORA2A (0.51) | ADORA2AADORA3ADORA1NPBWR1TDP1 | |
| SCHEMBL12188034 | 0.83 | ADORA2A (0.55) | ADORA2AADORA3ADORA1NPBWR1CYP2C9 | |
| SCHEMBL12165735 | 0.75 | ALDH1A1 (0.56) | ADORA2AADORA3ADORA1NPBWR1CYP2C9 | |
| SCHEMBL12165531 | 0.75 | ADORA3 (0.49) | ADORA2AADORA3ADORA1ALDH1A1 | |
| SCHEMBL12188014 | 0.75 | ADORA3 (0.55) | ADORA2AADORA3ADORA1MEN1KMT2A | |
| SCHEMBL12188016 | 0.74 | ADORA3 (0.45) | ADORA2AADORA3ADORA1 | |
| SCHEMBL16065954 | 0.72 | ADORA3 (0.55) | ADORA2AADORA3ADORA1MEN1KMT2A | |
| SCHEMBL12165529 | 0.71 | ADORA3 (0.56) | ADORA2AADORA3ADORA1CYP2C9MEN1 | |
| SCHEMBL12165600 | 0.71 | ADORA2A (0.41) | ADORA2AADORA3ADORA1CYP2C9MEN1 | |
| SCHEMBL12165502 | 0.71 | ADORA3 (0.56) | ADORA2AADORA3ADORA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509983-B1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2014-09-17 | — | — | EP | disclosed |
| US-8435994-B2 | Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-20120232086-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | MERCK SHARP & DOHME CORP. (US) | 2012-09-13 | — | — | US | disclosed |
| WO-2011060207-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2011-05-19 | — | — | 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-20120232086-A1 | FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY | ADORA2A, ADORA3, ADORA1 | ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885 |
“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.