Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.42 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29475930 | 1.00 | ADORA2A (0.52) | ADORA2AADORA2BKDM4EDEGS1TSHR | |
| SCHEMBL21995610 | 1.00 | ADORA2A (0.52) | ADORA2AADORA2BKDM4EDEGS1TSHR | |
| SCHEMBL21995614 | 1.00 | ADORA2A (0.52) | ADORA2AADORA2BKDM4EDEGS1TSHR | |
| SCHEMBL21995773 | 0.84 | ALDH1A1 (0.53) | ADORA2AADORA2BKDM4EHSD17B10MEN1 | |
| SCHEMBL25067464 | 0.83 | ADORA2A (0.43) | ADORA2AADORA2BKDM4EDEGS1TSHR | |
| SCHEMBL30277649 | 0.78 | ALDH1A1 (0.55) | KDM4EHSD17B10CYP2C19HPGDNPC1 | |
| SCHEMBL22061402 | 0.78 | ALDH1A1 (0.55) | KDM4EHSD17B10CYP2C19HPGDNPC1 | |
| SCHEMBL31250258 | 0.75 | NOTUM (0.58) | — | |
| SCHEMBL16042491 | 0.75 | PIM1 (0.47) | ADORA2AADORA2B | |
| SCHEMBL30818803 | 0.75 | PIM1 (0.47) | ADORA2AADORA2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230054411-A1 | 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2023-02-23 | — | — | 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 |
| EP-3887377-A1 | 7-, 8-, AND 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-10-06 | — | — | EP | 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-2020112706-A1 | 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2020-06-04 | — | — | 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 (4 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 | ADORA2A 1/4885ADORA2B 2/4885KDM4E 3535/4885 |
| US-20230054411-A1 | 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | ADORA2A, ADORA2B, ADORA3 | ADORA2A 1/4885ADORA2B 2/4885KDM4E 3280/4885 |
| US-11312719-B2 | 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use | ADORA2A, ADORA2B, ADORA3 | ADORA2A 1/4885ADORA2B 2/4885KDM4E 3535/4885 |
| US-20210107904-A1 | 9-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | ADORA2A, ADORA2B, ADORA3 | ADORA2A 1/4885ADORA2B 2/4885KDM4E 3535/4885 |
“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.