Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 15/20 | 0.42 |
| ▸ | MAP2K4 | P45985 | 4/20 | 0.40 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.40 |
| ▸ | RAF1 | P04049 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.40 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.40 |
| ▸ | NEK2 | P51955 | 2/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.40 |
| ▸ | MAP2K5 | Q13163 | 2/20 | 0.40 |
| ▸ | PTK6 | Q13882 | 2/20 | 0.40 |
| ▸ | NEK11 | Q8NG66 | 2/20 | 0.40 |
| ▸ | MAP3K20 | Q9NYL2 | 2/20 | 0.40 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | PIR | O00625 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL17046445 | 0.93 | BRAF (0.48) | BRAFMAP2K4RIPK2RAF1KDR | |
| SCHEMBL17046478 | 0.91 | BRAF (0.44) | BRAFMAP2K4RIPK2RAF1KDR | |
| SCHEMBL17046517 | 0.87 | BRAF (0.41) | BRAFMAP2K4RIPK2RAF1KDR | |
| SCHEMBL14716170 | 0.87 | BRAF (0.43) | BRAFMAP2K4RIPK2RAF1KDR | |
| SCHEMBL17046470 | 0.86 | BRAF (0.46) | BRAFMAP2K4RIPK2RAF1KDR | |
| SCHEMBL17046453 | 0.85 | BRAF (0.53) | BRAFMAP2K4RIPK2RAF1KDR | |
| SCHEMBL17046437 | 0.83 | BRAF (0.40) | BRAFABL1CYP2C19 | |
| SCHEMBL17046443 | 0.83 | BRAF (0.46) | BRAFMAP2K4RIPK2RAF1KDR | |
| SCHEMBL17046432 | 0.83 | BRAF (0.47) | BRAFMAP2K4ABL1CYP2C9CYP2C19 | |
| SCHEMBL17046482 | 0.83 | BRAF (0.61) | BRAFMAP2K4RIPK2RAF1KDR |
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-20150246885-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2015-09-03 | — | — | US | claimed |
| EP-2897618-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Neupharma, Inc. (US) | 2015-07-29 | — | — | EP | claimed |
| WO-2014047648-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. (US) | 2014-03-27 | — | — | WO | claimed |
| EP-2897618-B1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA INC (US) | 2021-11-17 | — | — | EP | disclosed |
| CN-104812389-B | Certain chemical entities, compositions, and methods | 润新生物公司 | 2020-07-17 | — | — | CN | disclosed |
| US-10457641-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2019-10-29 | — | — | US | disclosed |
| US-20170334859-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2017-11-23 | — | — | US | disclosed |
| US-9688635-B2 | Certain chemical entities, compositions, and methods | NEUPHARMA, INC. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20150246885-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2015-09-03 | — | — | US | 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-10457641-B2 | Certain chemical entities, compositions, and methods | BRAF, PIK3CA, PLK1 | BRAF 1/4885MAP2K4 758/4885RIPK2 883/4885 |
| US-20150246885-A1 | CERTAIN CHEMICAL ENTITES, COMPOSITIONS, AND METHODS | BRAF, AURKC, PLK1 | BRAF 1/4885MAP2K4 1914/4885RIPK2 1987/4885 |
| US-20170334859-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | BRAF, PIK3CA, PLK1 | BRAF 1/4885MAP2K4 758/4885RIPK2 883/4885 |
“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.