Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 7/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL856224 | 0.88 | ACHE (0.37) | PDK1ACHEGABRA1GABRA2CACNA1G | |
| SCHEMBL857651 | 0.82 | ACHE (0.37) | PDK1ACHEGABRA1GABRA2PARP1 | |
| SCHEMBL855633 | 0.82 | ACHE (0.34) | PDK1ACHE | |
| SCHEMBL27943269 | 0.81 | ACHE (0.35) | PDK1ACHEPARP1TNKS2PARP2 | |
| SCHEMBL859429 | 0.78 | PDK1 (0.33) | PDK1PARP1TNKS2PARP2 | |
| SCHEMBL856470 | 0.77 | KMT2A (0.41) | PDK1GABRA1GABRA2 | |
| SCHEMBL857386 | 0.77 | PDK1 (0.33) | PDK1 | |
| SCHEMBL856255 | 0.77 | PDK1 (0.33) | PDK1MAPK1 | |
| SCHEMBL858368 | 0.76 | PDK1 (0.32) | PDK1CACNA1GCACNA1HCACNA1I | |
| SCHEMBL856585 | 0.76 | KMT2A (0.43) | PDK1GABRA1GABRA2MAPK1 |
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-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| US-8648066-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-02-11 | — | — | US | disclosed |
| EP-2640366-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| WO-2012068096-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| EP-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| US-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2010-11-25 | — | — | US | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | 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 (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-20100298290-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | PDK1 65/4885ACHE 3847/4885GABRA1 75/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | PDK1 66/4885ACHE 4105/4885GABRA1 103/4885 |
“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.