Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acalisib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 16/20 | 0.77 |
| ▸ | PIK3CG | P48736 | 8/20 | 0.77 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.77 |
| ▸ | PIK3CB | P42338 | 10/20 | 0.60 |
| ▸ | PIK3R1 | P27986 | 8/20 | 0.58 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Acalisib SCHEMBL356540 | 1.00 | PIK3CD (0.77) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| Acalisib SCHEMBL29422834 | 1.00 | PIK3CD (0.77) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| Acalisib SCHEMBL29360030 | 1.00 | PIK3CD (0.77) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| Acalisib SCHEMBL356539 | 1.00 | PIK3CD (0.77) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| SCHEMBL16677731 | 0.95 | PIK3CD (0.70) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| SCHEMBL16677771 | 0.95 | PIK3CD (0.70) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| SCHEMBL16677429 | 0.95 | PIK3CD (0.70) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| SCHEMBL356432 | 0.95 | PIK3CD (0.69) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| SCHEMBL16677730 | 0.95 | PIK3CD (0.69) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 | |
| SCHEMBL16677435 | 0.95 | PIK3CD (0.69) | PIK3CDPIK3CGPIK3C3PIK3CBPIK3R1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160244452-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC (US) | 2016-08-25 | — | — | US | disclosed |
| US-20160244452-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS INC (US) | 2016-08-25 | — | — | US | disclosed |
| WO-2015061204-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-30 | — | — | 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-20160244452-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | PIK3CD 2/4885PIK3CG 7/4885PIK3C3 11/4885 |
“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.