Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 13/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3669714 | 1.00 | CA1 (0.49) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL31059713 | 1.00 | CA1 (0.49) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL18023509 | 0.92 | CA1 (0.45) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL30503494 | 0.86 | CTSK (0.47) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL24099496 | 0.85 | CA1 (0.45) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL28619419 | 0.85 | CTSK (0.55) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL73696 | 0.84 | CTSK (0.53) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL25353407 | 0.84 | CA1 (0.50) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL75827 | 0.84 | CTSK (0.53) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL73697 | 0.84 | CTSK (0.53) | CA1CA2CA7CTSKCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | claimed |
| US-20240317777-A1 | NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS | ACCUTAR BIOTECHNOLOGY INC. (US) | 2024-09-26 | — | — | US | disclosed |
| WO-2024178335-A2 | NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS | ACCUTAR BIOTECHNOLOGY, INC. (US) | 2024-08-29 | — | — | WO | disclosed |
| WO-2014083582-A2 | NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2014-06-05 | — | — | WO | disclosed |
| EP-2237793-A1 | INHIBITORS OF CATHEPSIN B | Virobay, Inc. (US) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009100225-A1 | INHIBITORS OF CATHEPSIN B | VIROBAY, INC. (US) | 2009-08-13 | — | — | 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-20240317777-A1 | NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS | CDK2, CDK20, CDK3 | CA1 2902/4885CA2 2755/4885CA7 4335/4885 |
“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.