Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 16/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 6/20 | 0.43 |
| ▸ | CTSD | P07339 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL22238954 | 1.00 | BACE1 (0.45) | BACE1BACE2CTSDALDH1A1 | |
| SCHEMBL6878568 | 0.87 | BACE1 (0.38) | BACE1BACE2CTSD | |
| SCHEMBL932383 | 0.87 | BACE1 (0.38) | BACE1BACE2CTSD | |
| SCHEMBL18195496 | 0.87 | BACE1 (0.38) | BACE1BACE2CTSD | |
| SCHEMBL3299951 | 0.82 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL7925285 | 0.82 | BACE1 (0.43) | BACE1BACE2 | |
| SCHEMBL21470500 | 0.81 | BACE1 (0.40) | BACE1BACE2CTSD | |
| SCHEMBL15467741 | 0.80 | BACE1 (0.39) | BACE1BACE2CTSD | |
| SCHEMBL7704616 | 0.80 | BACE1 (0.39) | BACE1BACE2CTSD | |
| SCHEMBL14733552 | 0.80 | BACE1 (0.45) | BACE1BACE2CTSD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3223820-B1 | 3-METHYL-2-IMINO-HEXAHYDRO-1H-PYRANO[3,4-D]PYRIMIDIN-4-ONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2020-07-22 | — | — | EP | disclosed |
| US-20170362248-A1 | C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | US | disclosed |
| US-20170362248-A1 | C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-12-21 | — | — | US | disclosed |
| WO-2016085780-A1 | C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-06-02 | — | — | 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-20170362248-A1 | C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, APP, PSEN1 | BACE1 1/4885BACE2 4/4885CTSD 863/4885 |
“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.