Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12599749 | 0.75 | PDE10A (0.39) | BACE1PDE10A | |
| SCHEMBL20479166 | 0.74 | PDE10A (0.37) | PDE10A | |
| SCHEMBL30550735 | 0.71 | PDE10A (0.37) | PDE10A | |
| SCHEMBL25320483 | 0.71 | PDE10A (0.37) | PDE10A | |
| SCHEMBL12599741 | 0.71 | CYP1A2 (0.46) | BACE1PDE10A | |
| SCHEMBL26382368 | 0.68 | JUN (0.35) | — | |
| SCHEMBL11654175 | 0.67 | SMN1; SMN2 (0.38) | PDE10A | |
| SCHEMBL20797857 | 0.67 | PDE10A (0.54) | PDE10A | |
| SCHEMBL11689578 | 0.64 | LMNA (0.36) | — | |
| SCHEMBL12599745 | 0.64 | PDE10A (0.36) | BACE1PDE10A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541427-B2 | Phenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use | Merck, Sharp & Dohme, Corp. (US) | 2013-09-24 | — | — | US | disclosed |
| US-8450331-B2 | Thiophenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2013-05-28 | — | — | US | disclosed |
| US-8450331-B2 | Thiophenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use | MERCK SHARP & DOHME CORP. (US) | 2013-05-28 | — | — | US | disclosed |
| US-20110110957-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2011-05-12 | — | — | US | disclosed |
| US-20110110927-A1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2011-05-12 | — | — | US | disclosed |
| US-20110110927-A1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2011-05-12 | — | — | US | disclosed |
| US-20110110957-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME LLC | 2011-05-12 | — | — | 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 (2 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-20110110957-A1 | PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, PSEN1, APP | BACE1 1/4885PDE10A 701/4885 |
| US-20110110927-A1 | THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, APP, PSEN1 | BACE1 1/4885PDE10A 887/4885 |
“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.