Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3058442 | 0.92 | KDM4E (0.41) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL3063995 | 0.89 | CYP3A4 (0.42) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL3066885 | 0.81 | ADORA2B (0.42) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL3068229 | 0.81 | ADORA2B (0.47) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL3058845 | 0.80 | ADORA2B (0.51) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL3058556 | 0.75 | ADORA2B (0.47) | KDM4EGAAALDH1A1HPGDGLA | |
| SCHEMBL3061789 | 0.73 | CCNB2 (0.47) | CYP11B2KDM4EGAAALDH1A1HPGD | |
| SCHEMBL4696611 | 0.73 | CYP19A1 (0.47) | CYP11B2KDM4EGAAALDH1A1HPGD | |
| SCHEMBL13090347 | 0.70 | ADORA2B (0.49) | ALDH1A1CYP3A4ADORA2BCYP2C19ADORA2A | |
| SCHEMBL21934675 | 0.70 | ADORA2B (0.48) | KDM4EGAAALDH1A1HPGDGLA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100273757-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | LABORATORIOS ALMIRALL, S.A. | 2010-10-28 | — | — | US | disclosed |
| US-7790728-B2 | Pyrazine derivatives useful as adenosine receptor antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-09-07 | — | — | US | disclosed |
| US-20090042891-A1 | Pyrazine Derivatives Useful as Adenosine Receptor Antagonists | LABORATORIOS ALMIRALL, S.A. (ES) | 2009-02-12 | — | — | US | disclosed |
| EP-1922313-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | Laboratorios Almirall, S.A. (ES) | 2008-05-21 | — | — | EP | disclosed |
| WO-2007017096-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | LABORATORIOS ALMIRALL, S.A. (ES) | 2007-02-15 | — | — | 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-20090042891-A1 | Pyrazine Derivatives Useful as Adenosine Receptor Antagonists | ADORA2B, ADORA2A, ADORA3 | CYP11B2 92/4885KDM4E 4367/4885GAA 3452/4885 |
| US-20100273757-A1 | PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS | ADORA2B, ADORA2A, ADORA1 | CYP11B2 178/4885KDM4E 3671/4885GAA 4594/4885 |
“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.