Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.61 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.61 |
| ▸ | PIM1 | P11309 | 2/20 | 0.61 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | KDM4B | O94953 | 1/20 | 0.46 |
| ▸ | KDM5C | P41229 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.46 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL858781 | 0.87 | PARP1 (0.61) | PARP1CHEK1PIM1RPS6KA3PDPK1 | |
| SCHEMBL1266021 | 0.78 | MMP12 (0.42) | ALDH1A1PIK3CA | |
| SCHEMBL17740845 | 0.77 | PARP1 (0.56) | PARP1CHEK1PIM1RPS6KA3ALDH1A1 | |
| SCHEMBL29967230 | 0.76 | PARP1 (1.00) | PARP1CHEK1PIM1RPS6KA3ALDH1A1 | |
| SCHEMBL1690531 | 0.76 | PARP1 (1.00) | PARP1CHEK1PIM1RPS6KA3ALDH1A1 | |
| SCHEMBL1266025 | 0.76 | PRKCI (0.52) | ALDH1A1SMN1; SMN2PIK3CA | |
| SCHEMBL15009988 | 0.75 | PARP1 (0.47) | PARP1CHEK1PIM1RPS6KA3ALDH1A1 | |
| SCHEMBL391295 | 0.73 | PIM1 (0.74) | PARP1CHEK1PIM1RPS6KA3ALDH1A1 | |
| SCHEMBL24819 | 0.73 | PARP1 (0.74) | PARP1CHEK1PIM1RPS6KA3ALDH1A1 | |
| SCHEMBL643424 | 0.73 | ALDH1A1 (1.00) | PARP1CHEK1PIM1RPS6KA3ALDH1A1 |
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 |
| CN-103459384-A | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS INC | 2013-12-18 | — | — | CN | 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 (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 | PARP1 2347/4885CHEK1 2304/4885PIM1 362/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | PARP1 2511/4885CHEK1 2544/4885PIM1 655/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | PARP1 2250/4885CHEK1 1862/4885PIM1 409/4885 |
“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.