Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nemiralisib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 13/20 | 0.97 |
| ▸ | PIK3CB | P42338 | 11/20 | 0.97 |
| ▸ | PIK3CG | P48736 | 9/20 | 0.97 |
| ▸ | PIK3CA | P42336 | 9/20 | 0.97 |
| ▸ | PIM1 | P11309 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Nemiralisib SCHEMBL29356978 | 0.98 | PIK3CD (1.00) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL29493085 | 0.98 | PIK3CD (1.00) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL109919 | 0.98 | PIK3CD (1.00) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL111259 | 0.97 | PIK3CD (0.98) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL659144 | 0.97 | PIK3CD (0.98) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL18281136 | 0.93 | PIK3CD (0.85) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| SCHEMBL17255824 | 0.92 | PIK3CD (0.88) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Hydrochloric Acid SCHEMBL17255819 | 0.92 | PIK3CD (0.87) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL15051783 | 0.91 | PIK3CD (0.82) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| SCHEMBL23140774 | 0.87 | PIK3CD (0.80) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3303329-B1 | PROCESSES TO MAKE INDAZOLE DERIVATIVES | GLAXOSMITHKLINE IP DEV LTD (GB) | 2019-09-18 | — | — | EP | disclosed |
| US-10266525-B2 | Processes for preparing 2-(6-(1H-indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-04-23 | — | — | US | disclosed |
| US-20180155334-A1 | NOVEL PROCESSES | GLAXOSMITHKLINE IP DEV LTD (GB) | 2018-06-07 | — | — | US | disclosed |
| EP-3303329-A1 | PROCESSES TO MAKE INDAZOLE DERIVATIVES | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2018-04-11 | — | — | EP | disclosed |
| WO-2016193255-A1 | PROCESSES TO MAKE INDAZOLE DERIVATIVES | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-12-08 | — | — | 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 (2 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-20180155334-A1 | NOVEL PROCESSES | CYP4A11, CYP4F11, CYP4F3 | PIK3CD 758/4885PIK3CB 885/4885PIK3CG 1153/4885 |
| US-10266525-B2 | Processes for preparing 2-(6-(1H-indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole | IPO4, CYP3A4, CYP4B1 | PIK3CD 700/4885PIK3CB 721/4885PIK3CG 725/4885 |
“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.