Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 12/20 | 0.81 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.74 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.71 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.71 |
| ▸ | RAF1 | P04049 | 1/20 | 0.67 |
| ▸ | BRAF | P15056 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | FBP1 | P09467 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL15077994 | 0.90 | RAF1 (0.74) | EGFRERBB2ABCG2ALKRAF1 | |
| SCHEMBL1417740 | 0.85 | EGFR (1.00) | EGFRERBB2ABCG2MAPK1FBP1 | |
| SCHEMBL31060998 | 0.85 | EGFR (1.00) | EGFRERBB2ABCG2MAPK1FBP1 | |
| SCHEMBL5845291 | 0.85 | EGFR (1.00) | EGFRERBB2ABCG2MAPK1FBP1 | |
| SCHEMBL13599953 | 0.84 | RAF1 (0.79) | EGFRERBB2ABCG2ALKRAF1 | |
| SCHEMBL9215676 | 0.84 | EGFR (0.74) | EGFRERBB2RAF1BRAFMAPK1 | |
| SCHEMBL4586988 | 0.84 | KDM4E (0.82) | EGFRERBB2ABCG2FBP1 | |
| SCHEMBL28158745 | 0.84 | EGFR (0.74) | EGFRERBB2ABCG2MAPK1FBP1 | |
| SCHEMBL5564456 | 0.84 | MAPK1 (0.82) | EGFRERBB2ABCG2MAPK1FBP1 | |
| SCHEMBL4738585 | 0.84 | EGFR (0.80) | EGFRERBB2RAF1BRAF |
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 |
|---|---|---|---|---|---|---|---|
| CN-106986895-A | Quinazoline ditosylate salt Mutiple Targets antitumoral compounds and its preparation method and application | 北京大学 | 2017-07-28 | — | — | CN | disclosed |
| CN-102850397-B | Multi-target antitumor compounds and preparation method and application thereof | UNIV BEIJING | 2015-02-18 | — | — | CN | disclosed |
| US-20110065734-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2011-03-17 | — | — | US | disclosed |
| US-20110065734-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2011-03-17 | — | — | US | disclosed |
| US-20110065734-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2011-03-17 | — | — | US | disclosed |
| CN-101899011-A | Dithiocarbamates compound, preparation method and application thereof | UNIV BEIJING | 2010-12-01 | — | — | CN | disclosed |
| EP-2220042-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009063054-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2009-05-22 | — | — | WO | disclosed |
| EP-2060565-A1 | Novel bifunctional compounds which inhibit protein kinases and histone deacetylases | 4SC AG (DE) | 2009-05-20 | — | — | EP | disclosed |
| EP-2060565-A1 | Novel bifunctional compounds which inhibit protein kinases and histone deacetylases | 4SC AG (DE) | 2009-05-20 | — | — | EP | 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-20110065734-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | HDAC1, HDAC11, MAP2K2 | EGFR 1304/4885ERBB2 499/4885ABCG2 3562/4885 |
“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.