Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.49 |
| ▸ | USP2 | O75604 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL855634 | 0.87 | ACHE (0.59) | KITACHEBACE1PDE10APDGFRB | |
| SCHEMBL858599 | 0.80 | CYP2C19 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL856625 | 0.78 | KIT (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL31452625 | 0.78 | MTNR1B (0.50) | HTTALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL861574 | 0.77 | CYP1A2 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL3764793 | 0.76 | PIK3CA (0.49) | HTTALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3716243 | 0.76 | MTNR1B (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL13056673 | 0.76 | MTNR1B (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL6125714 | 0.75 | KIT (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL857760 | 0.75 | CLK4 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C19CLK4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-04-17 | — | — | US | disclosed |
| 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 |
| WO-2010135568-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | 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 (3 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 | HTT 2079/4885ALDH1A1 3395/4885CYP1A2 997/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | HTT 2326/4885ALDH1A1 3533/4885CYP1A2 878/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | HTT 2454/4885ALDH1A1 3049/4885CYP1A2 1244/4885 |
“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.