Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16563485 | 0.88 | KMT2A (0.52) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL30394883 | 0.88 | KMT2A (0.52) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL23442006 | 0.84 | KMT2A (0.47) | CES2CES1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL1554080 | 0.82 | CES2 (0.39) | CES2CES1ALDH1A1HK1SMN1; SMN2 | |
| SCHEMBL27257973 | 0.81 | CES2 (0.47) | CES2CES1ALDH1A1TDP1LMNA | |
| SCHEMBL3563696 | 0.79 | CES2 (0.55) | CES2CES1ALDH1A1KDM4EMAPT | |
| SCHEMBL138307 | 0.78 | PTPN1 (0.53) | CES2CES1ALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL12709975 | 0.78 | CYP3A4 (0.39) | ALDH1A1HK1SMN1; SMN2HKDC1KDM4E | |
| SCHEMBL12709971 | 0.78 | MAPT (0.39) | ALDH1A1HK1SMN1; SMN2HKDC1KDM4E | |
| SCHEMBL23953717 | 0.77 | KCNH2 (0.39) | ALDH1A1HK1SMN1; SMN2HKDC1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4426705-A1 | CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR | F. Hoffmann-La Roche AG (CH) | 2024-09-11 | — | — | EP | disclosed |
| CN-118019745-A | Cyclohepta-thieno-diazapine derivatives as positive allosteric modulators of the GABAA gamma 1 receptor | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-117881684-A | Novel cyclopenta-thieno-diazepine derivatives as GABAA gamma 1 PAM | 豪夫迈·罗氏有限公司 | 2024-04-12 | — | — | CN | disclosed |
| WO-2023057423-A1 | CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2023-04-13 | — | — | WO | disclosed |
| US-6566363-B2 | 5-amino-3-substituted-pyrazolo(4,5-d)thiazole compounds that mediate and/or inhibit the activity of cyclin-dependent kinases, useful for treating cancer, angiogenesis and cellular proliferation | AGOURON PHARMACEUTICALS, INC. | 2003-05-20 | — | — | US | disclosed |
| EP-1307462-A2 | PYRAZOLE-THIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASES | Agouron Pharmaceuticals, Inc. (US) | 2003-05-07 | — | — | EP | disclosed |
| US-20020049215-A1 | Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases | AGOURON PHARMACEUTICALS, INC. | 2002-04-25 | — | — | US | disclosed |
| WO-2002012250-A2 | PYRAZOLE-THIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-02-14 | — | — | 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-20020049215-A1 | Pyrazole-thiazole compounds, pharmaceutical compositions containing them, and methods of their use for inhibiting cyclin-dependent kinases | CDK4, CCNK, CDK2 | CES2 4789/4885CES1 3343/4885ALDH1A1 2325/4885 |
“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.