Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | JAK1 | P23458 | 3/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 3/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.42 |
| ▸ | OGFRL1 | Q5TC84 | 6/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11900687 | 1.00 | TP53 (0.62) | TP53JAK1JAK2TYK2JAK3 | |
| SCHEMBL11901013 | 1.00 | TP53 (0.62) | TP53JAK1JAK2TYK2JAK3 | |
| SCHEMBL11901602 | 0.85 | TP53 (0.60) | TP53JAK1PRKACARPS6KB1GSK3B | |
| SCHEMBL3450086 | 0.83 | TP53 (0.68) | TP53PRKACARPS6KB1GSK3BROCK1 | |
| Hydrochloric Acid SCHEMBL3449773 | 0.82 | TP53 (0.66) | TP53PRKACARPS6KB1GSK3BROCK1 | |
| SCHEMBL21311237 | 0.81 | RPS6KB1 (0.47) | TP53JAK1JAK2PRKACARPS6KB1 | |
| SCHEMBL21311238 | 0.81 | RPS6KB1 (0.47) | TP53JAK1JAK2PRKACARPS6KB1 | |
| SCHEMBL11901295 | 0.77 | TP53 (0.48) | TP53JAK1JAK2TYK2JAK3 | |
| SCHEMBL11901293 | 0.77 | TP53 (0.48) | TP53JAK1JAK2TYK2JAK3 | |
| SCHEMBL18250306 | 0.76 | TP53 (0.79) | TP53PRKACARPS6KB1GSK3BROCK1 |
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-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| EP-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | 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 (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-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, AKT3 | TP53 620/4885JAK1 368/4885JAK2 301/4885 |
“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.