Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | PIP4K2A | P48426 | 3/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PIP4K2C | Q8TBX8 | 3/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL856757 | 0.87 | PDE4B (0.46) | PDE4APDE4BPDE4CPDE4DPIP4K2A | |
| SCHEMBL23911079 | 0.77 | LMNA (0.42) | LMNA | |
| SCHEMBL17443228 | 0.73 | PARG (0.47) | LRRK2LMNASCN9APTGS1PTGS2 | |
| SCHEMBL856083 | 0.73 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL401110 | 0.72 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL29416410 | 0.72 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL28794426 | 0.71 | DHFR (0.38) | LRRK2LMNADHFRPTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL5739823 | 0.71 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL6843232 | 0.70 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DENPP1 | |
| SCHEMBL1438134 | 0.70 | EGFR (0.56) | PDE4APDE4BPDE4CPDE4DLMNA |
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 |
| CN-102459249-A | Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases | EXELIXIS INC | 2012-05-16 | — | — | CN | 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 (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 | PDE4A 1259/4885PDE4B 1027/4885PDE4C 1349/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | PDE4A 1188/4885PDE4B 958/4885PDE4C 1209/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | PDE4A 924/4885PDE4B 817/4885PDE4C 1052/4885 |
“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.