Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL405495 | 0.92 | KHK (0.47) | KHKSLC6A4CYP2D6SLC6A2NOS2 | |
| SCHEMBL2476965 | 0.83 | KHK (0.52) | KHKSLC6A4CYP2D6SLC6A2NOS2 | |
| SCHEMBL404483 | 0.82 | KHK (0.48) | KHKTRPV4ALDH1A1GAACYP11B2 | |
| SCHEMBL404475 | 0.82 | GAA (0.46) | KHKCYP2D6TRPV4ALDH1A1GAA | |
| SCHEMBL769651 | 0.82 | KHK (0.48) | KHKSLC6A4CYP2D6SLC6A2NOS2 | |
| SCHEMBL23380399 | 0.81 | PTPN1 (0.42) | KHKSLC6A4CYP2D6SLC6A2NOS2 | |
| SCHEMBL7575800 | 0.80 | ALDH1A1 (0.50) | KHKSLC6A4CYP2D6SLC6A2NOS2 | |
| SCHEMBL1880028 | 0.80 | TRPV4 (0.56) | KHKSLC6A4CYP2D6SLC6A2NOS2 | |
| SCHEMBL6661759 | 0.80 | KHK (0.47) | KHKTRPV4ALDH1A1GAACYP11B2 | |
| SCHEMBL31504178 | 0.80 | TRPV4 (0.56) | KHKSLC6A4CYP2D6SLC6A2NOS2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12060357-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | MERCK SHARP & DOHME LLC (US) | 2024-08-13 | — | — | US | disclosed |
| US-20220220117-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2022-07-14 | — | — | US | disclosed |
| US-20220220117-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2022-07-14 | — | — | US | disclosed |
| US-11312719-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2022-04-26 | — | — | US | disclosed |
| US-11312719-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | MERCK SHARP & DOHME CORP. (US) | 2022-04-26 | — | — | US | disclosed |
| EP-3886988-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-10-06 | — | — | EP | disclosed |
| CN-113329791-A | 9-substituted amino-triazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof | 默沙东公司 | 2021-08-31 | — | — | CN | disclosed |
| US-20210107904-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2021-04-15 | — | — | US | disclosed |
| US-20210107904-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2021-04-15 | — | — | US | disclosed |
| WO-2020112700-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | WO | disclosed |
| WO-2020112700-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | WO | disclosed |
| US-20140315886-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-10-23 | — | — | US | disclosed |
| US-20140315886-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-10-23 | — | — | US | disclosed |
| US-20140315886-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-10-23 | — | — | US | disclosed |
| EP-2726485-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | Otsuka Pharmaceutical Co., Ltd. (JP) | 2014-05-07 | — | — | EP | disclosed |
| WO-2013003586-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-01-03 | — | — | WO | disclosed |
| WO-2013003586-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-01-03 | — | — | 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 (5 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-20220220117-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | ADORA2A, ADORA2B, ADORA3 | KHK 1511/4885SLC6A4 772/4885CYP2D6 477/4885 |
| US-12060357-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | ADORA2A, ADORA2B, ADORA3 | KHK 1511/4885SLC6A4 772/4885CYP2D6 477/4885 |
| US-11312719-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | ADORA2A, ADORA2B, ADORA3 | KHK 1511/4885SLC6A4 772/4885CYP2D6 477/4885 |
| US-20210107904-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | ADORA2A, ADORA2B, ADORA3 | KHK 1511/4885SLC6A4 772/4885CYP2D6 477/4885 |
| US-20140315886-A1 | QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | PPP2CA, PPP4C, PPP3CB | KHK 3419/4885SLC6A4 72/4885CYP2D6 4357/4885 |
“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.