Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 5/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | RIPK2 | O43353 | 6/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 6/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16505574 | 0.93 | BRAF (0.47) | BRAFHDAC3HDAC2CYP2C9HCAR2 | |
| SCHEMBL16506339 | 0.90 | BRAF (0.47) | BRAFCYP2C9PIK3CDPIK3CBMTOR | |
| SCHEMBL14716344 | 0.88 | CYP2C19 (0.52) | BRAFHDAC3HDAC2CYP2C9CYP2C19 | |
| SCHEMBL16505560 | 0.86 | BRAF (0.49) | BRAFHDAC3HDAC2CYP2C9PIK3CD | |
| SCHEMBL14809566 | 0.86 | PIK3CB (0.53) | HDAC3HDAC2CYP2C9PIK3CDPIK3CB | |
| SCHEMBL14716326 | 0.86 | BRAF (0.48) | BRAFHDAC3HDAC2CYP2C9PIK3CD | |
| SCHEMBL14809047 | 0.86 | HDAC3 (0.48) | BRAFHDAC3HDAC2PIK3CDPIK3CB | |
| SCHEMBL14809958 | 0.85 | BRAF (0.51) | BRAFCYP2C9CYP2C19RIPK2MAP2K4 | |
| SCHEMBL14809044 | 0.85 | PIK3CB (0.53) | HDAC3HDAC2CYP2C9PIK3CDPIK3CB | |
| SCHEMBL14716082 | 0.84 | HDAC3 (0.46) | BRAFHDAC3HDAC2CYP2C9PIK3CD |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2757885-B1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2017-03-15 | — | — | EP | claimed |
| US-9249110-B2 | Substituted quinoxalines as B-raf kinase inhibitors | NEUPHARMA, INC. (US) | 2016-02-02 | — | — | US | claimed |
| US-20150057276-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2015-02-26 | — | — | US | claimed |
| EP-2757885-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | Neupharma, Inc. (US) | 2014-07-30 | — | — | EP | claimed |
| WO-2013043935-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2013-03-28 | — | — | WO | claimed |
| EP-2757885-B1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2017-03-15 | — | — | EP | disclosed |
| US-9249110-B2 | Substituted quinoxalines as B-raf kinase inhibitors | NEUPHARMA, INC. (US) | 2016-02-02 | — | — | US | disclosed |
| US-20150057276-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2015-02-26 | — | — | US | disclosed |
| EP-2757885-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | Neupharma, Inc. (US) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013043935-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2013-03-28 | — | — | 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 (1 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-20150057276-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | BRAF, PIK3CA, PLK1 | BRAF 1/4885HDAC3 827/4885HDAC2 808/4885 |
“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.