Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10157348 | 0.98 | KDM4E (0.60) | KDM4EHSD17B10NPC1GAAMEN1 | |
| SCHEMBL855556 | 0.97 | HSD17B10 (0.62) | KDM4EHSD17B10NPC1GAAMEN1 | |
| SCHEMBL730137 | 0.87 | KDM4E (0.58) | KDM4EHSD17B10NPC1MEN1KMT2A | |
| SCHEMBL741866 | 0.87 | HSD17B10 (0.65) | KDM4EHSD17B10NPC1GAAMEN1 | |
| SCHEMBL740347 | 0.87 | KDM4E (0.65) | KDM4EHSD17B10NPC1MEN1KMT2A | |
| SCHEMBL741361 | 0.87 | KDM4E (0.58) | KDM4EHSD17B10NPC1MEN1KMT2A | |
| SCHEMBL740331 | 0.84 | HSD17B10 (0.59) | KDM4EHSD17B10NPC1GAAMEN1 | |
| SCHEMBL6119304 | 0.83 | HSD17B10 (0.71) | KDM4EHSD17B10NPC1GAAMEN1 | |
| SCHEMBL855468 | 0.83 | ALOX5AP (0.52) | KDM4EHSD17B10NPC1MEN1KMT2A | |
| SCHEMBL3712478 | 0.82 | HSD17B10 (0.54) | KDM4EHSD17B10NPC1GAAMEN1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10538533-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2020-01-21 | — | — | US | disclosed |
| US-20180118762-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |
| US-20180118762-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |
| US-9802960-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-10-31 | — | — | US | disclosed |
| US-9802960-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-10-31 | — | — | US | disclosed |
| US-9751854-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-9751854-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170073326-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-16 | — | — | US | disclosed |
| US-20170073326-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-16 | — | — | US | disclosed |
| US-20150225422-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-13 | — | — | US | disclosed |
| US-20150225422-A1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-13 | — | — | US | disclosed |
| 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 |
| 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 (7 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 | KDM4E 610/4885HSD17B10 1254/4885NPC1 1583/4885 |
| US-20140107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | KDM4E 361/4885HSD17B10 711/4885NPC1 1273/4885 |
| US-20140080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | KDM4E 760/4885HSD17B10 1066/4885NPC1 1132/4885 |
| US-20180118762-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | KDM4E 1579/4885HSD17B10 1956/4885NPC1 33/4885 |
| US-10538533-B2 | Heteroaryls and uses thereof | VPS35, VPS4B, VPS26B | KDM4E 1579/4885HSD17B10 1956/4885NPC1 33/4885 |
| US-20150225422-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | KDM4E 1579/4885HSD17B10 1956/4885NPC1 33/4885 |
| US-20170073326-A1 | HETEROARYLS AND USES THEREOF | VPS35, VPS4B, VPS26B | KDM4E 1579/4885HSD17B10 1956/4885NPC1 33/4885 |
“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.