Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | KLK7 | P49862 | 4/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11902027 | 1.00 | BACE1 (0.41) | BACE1BACE2BRD4KLK7KLK5 | |
| SCHEMBL11901971 | 1.00 | BACE1 (0.41) | BACE1BACE2BRD4KLK7KLK5 | |
| SCHEMBL11901639 | 0.86 | PIK3CD (0.40) | BRD4PIK3CDPIK3R1PIK3CAPIK3CB | |
| SCHEMBL11900899 | 0.86 | PIK3CD (0.40) | BRD4PIK3CDPIK3R1PIK3CAPIK3CB | |
| SCHEMBL11900901 | 0.86 | PIK3CD (0.40) | BRD4PIK3CDPIK3R1PIK3CAPIK3CB | |
| SCHEMBL2507650 | 0.83 | PIK3CD (0.49) | BRD4PIK3CDPIK3R1PIK3CAPIK3CB | |
| SCHEMBL2507652 | 0.83 | PIK3CD (0.49) | BRD4PIK3CDPIK3R1PIK3CAPIK3CB | |
| SCHEMBL11900545 | 0.83 | BACE1 (0.45) | BACE1BACE2ATM | |
| SCHEMBL11901298 | 0.82 | PIK3CD (0.46) | BRD4PIK3CDPIK3R1PIK3CAPIK3CB | |
| SCHEMBL11902050 | 0.81 | PIK3CD (0.45) | BRD4PIK3CDPIK3R1PIK3CAPIK3CB |
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 4 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 |
| 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 |
| 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 | BACE1 371/4885BACE2 890/4885BRD4 3799/4885 |
“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.