Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 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 | |
|---|---|---|---|---|
| SCHEMBL27326493 | 0.98 | CYP2D6 (0.42) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| SCHEMBL4027215 | 0.95 | TACR1 (0.45) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| SCHEMBL24364046 | 0.89 | CYP2D6 (0.39) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| SCHEMBL2706723 | 0.83 | HTR2C (0.56) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| SCHEMBL10262531 | 0.83 | TACR1 (0.38) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| SCHEMBL2706698 | 0.82 | HTR2C (0.51) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| SCHEMBL31512125 | 0.82 | HTR2C (0.51) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| SCHEMBL7895312 | 0.82 | HTR2C (0.51) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL31136600 | 0.81 | HTR2C (0.53) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL31512124 | 0.81 | HTR2C (0.53) | CYP2D6MEN1KMT2ACYP2C19CYP1A2 |
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-20140378436-A9 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | EXELIXIS, INC. (US) | 2014-12-25 | — | — | US | disclosed |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-8637499-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| US-20140024637-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | EXELIXIS, INC. (US) | 2014-01-23 | — | — | US | disclosed |
| EP-2643316-A2 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| EP-2640367-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| EP-2435426-B1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS INC (US) | 2013-05-22 | — | — | EP | disclosed |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2012-10-11 | — | — | US | disclosed |
| WO-2012071509-A2 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |
| WO-2012068106-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-24 | — | — | WO | disclosed |
| EP-2435426-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2012-04-04 | — | — | EP | disclosed |
| WO-2010138487-A1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2010-12-02 | — | — | 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 (4 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-20140378436-A9 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | CYP2D6 746/4885MEN1 3183/4885KMT2A 2645/4885 |
| US-20140024637-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | CYP2D6 746/4885MEN1 3183/4885KMT2A 2645/4885 |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | PIK3R1, PIK3R3, PIK3R2 | CYP2D6 1474/4885MEN1 1381/4885KMT2A 1332/4885 |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | CYP2D6 1174/4885MEN1 3328/4885KMT2A 2959/4885 |
“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.