Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL28430438 | 0.85 | CYP3A4 (0.49) | CYP3A4ALOX5MAOBMAOAACHE | |
| SCHEMBL5033238 | 0.82 | MAPT (0.54) | CYP3A4ALOX5MAOBMAOAACHE | |
| SCHEMBL4725521 | 0.80 | MAOB (0.48) | CYP3A4MAOB | |
| SCHEMBL856483 | 0.80 | CYP3A4 (0.51) | CYP3A4ALOX5MAOBMAOANPC1 | |
| SCHEMBL23273961 | 0.79 | CYP3A4 (0.54) | CYP3A4ALOX5MAOBMAOAACHE | |
| Hydrochloric Acid SCHEMBL7211024 | 0.79 | CYP3A4 (0.50) | CYP3A4ALOX5MAOBMAOANPC1 | |
| SCHEMBL29971250 | 0.79 | CYP3A4 (0.54) | CYP3A4ALOX5MAOBMAOAACHE | |
| SCHEMBL5491074 | 0.79 | MEN1 (0.57) | CYP3A4MEN1KMT2A | |
| SCHEMBL27863159 | 0.78 | CYP3A4 (0.49) | CYP3A4ALOX5MAOBMAOAACHE | |
| SCHEMBL2329011 | 0.77 | CYP3A4 (0.49) | CYP3A4ALOX5MAOBMAOAACHE |
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 12 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 |
| US-7205309-B2 | Quinazoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-04-17 | — | — | US | disclosed |
| CN-1665791-A | Quinazoline derivatives | HOFFMANN LA ROCHE (CH) | 2005-09-07 | — | — | CN | disclosed |
| EP-1560816-A1 | QUINAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-10 | — | — | EP | disclosed |
| US-20040029901-A1 | Quinazoline derivatives | HOFFMANN-LA ROCHE INC. | 2004-02-12 | — | — | US | disclosed |
| WO-2004005265-A1 | QUINAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-15 | — | — | 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 | CYP3A4 493/4885ALOX5 466/4885MAOB 903/4885 |
| US-20040029901-A1 | Quinazoline derivatives | GPR119, NQO2, CYP7A1 | CYP3A4 33/4885ALOX5 3539/4885MAOB 910/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | CYP3A4 652/4885ALOX5 447/4885MAOB 954/4885 |
“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.