Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.76 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.76 |
| ▸ | ADORA2B | P29275 | 10/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5016140 | 0.86 | ADORA1 (0.77) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL3090527 | 0.78 | ADORA2A (0.51) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL1489493 | 0.77 | POLB (0.56) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL5017677 | 0.76 | ADORA2A (1.00) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL5022353 | 0.76 | ADORA2A (0.70) | ADORA2AADORA3ADORA1ADORA2B | |
| SCHEMBL5016118 | 0.75 | ADORA1 (0.69) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL5022739 | 0.75 | ADORA2A (0.72) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL3096613 | 0.74 | ADORA2A (0.80) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL11828156 | 0.73 | LMNA (0.54) | ADORA2AADORA3ADORA1ADORA2BKDM4E | |
| SCHEMBL3094955 | 0.73 | ADORA3 (0.51) | ADORA2AADORA3ADORA1ADORA2BKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100234341-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL, S.A. (ES) | 2010-09-16 | — | — | US | disclosed |
| US-20100234341-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL, S.A. (ES) | 2010-09-16 | — | — | US | disclosed |
| US-20100234341-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL, S.A. (ES) | 2010-09-16 | — | — | US | disclosed |
| EP-2121662-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008070661-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-06-12 | — | — | WO | disclosed |
| WO-2008070661-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-06-12 | — | — | WO | disclosed |
| US-20080058356-A1 | 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-03-06 | — | — | US | disclosed |
| CN-1953975-A | 2, 6 bisheteroaryl-4-aminopyrimidines as adenosine receptor antagonists | ALMIRALL PRODESFARMA AG (CH) | 2007-04-25 | — | — | CN | 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-20080058356-A1 | 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists | ADORA2A, ADORA3, ADORA1 | ADORA2A 1/4885ADORA3 2/4885ADORA1 3/4885 |
| US-20100234341-A1 | SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ADORA3, ADORA1, ADORA2A | ADORA2A 3/4885ADORA3 1/4885ADORA1 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.