Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.43 |
| ▸ | DRD1 | P21728 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HRH1 | P35367 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4445537 | 0.82 | CYP2D6 (0.72) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL434743 | 0.78 | CYP2D6 (0.56) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL85721 | 0.77 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL14748423 | 0.77 | CYP2D6 (0.51) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL1904189 | 0.77 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL31490354 | 0.77 | POLB (0.58) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL844392 | 0.77 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Hydrochloric Acid SCHEMBL5379223 | 0.77 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL440638 | 0.77 | POLB (0.58) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL5779464 | 0.77 | CYP2D6 (0.50) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |
| US-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |
| US-20160194330-A1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | US | 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-20160194330-A1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | ADORA2A, ADORA1, ADORA3 | CYP2D6 1956/4885CYP2C19 2426/4885CHRM2 93/4885 |
“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.