Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13090462 | 0.87 | ADORA2A (0.47) | ADORA2AHSP90AA1SMPD3ALDH1A1CYP1A1 | |
| SCHEMBL1489975 | 0.84 | HSP90AA1 (0.54) | ADORA2AHSP90AA1ALDH1A1TSHRNOS1 | |
| SCHEMBL2549740 | 0.79 | ADORA2A (0.49) | ADORA2AHSP90AA1SMPD3ALDH1A1TSHR | |
| SCHEMBL929763 | 0.74 | HSP90AA1 (0.59) | ADORA2AHSP90AA1SMPD3ALDH1A1TSHR | |
| SCHEMBL2547481 | 0.73 | HSP90AA1 (0.53) | ADORA2AHSP90AA1ALDH1A1TSHRNOS1 | |
| SCHEMBL13147657 | 0.71 | IDH1 (0.41) | ADORA2AHSP90AA1ADORA1CYP1A1CYP1A2 | |
| SCHEMBL5026281 | 0.71 | CYP19A1 (0.48) | ADORA2AHSP90AA1ALDH1A1HSD17B10ADORA1 | |
| SCHEMBL5017693 | 0.71 | HSP90AA1 (0.47) | ADORA2AHSP90AA1ALDH1A1HSD17B10ADORA1 | |
| SCHEMBL5024950 | 0.70 | MYC (0.55) | ADORA2AHSP90AA1ALDH1A1TSHRHSD17B10 | |
| SCHEMBL5016332 | 0.70 | MYC (0.55) | ADORA2AHSP90AA1ALDH1A1HSD17B10ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1697351-A1 | 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | Almirall Prodesfarma AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058883-A1 | 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2005-06-30 | — | — | 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-20080058356-A1 | 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists | ADORA2A, ADORA3, ADORA1 | ADORA2A 1/4885HSP90AA1 4315/4885SMPD3 2477/4885 |
“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.