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 | 0.98 |
| ▸ | PIK3CB | P42338 | 11/20 | 0.98 |
| ▸ | PIK3CG | P48736 | 9/20 | 0.98 |
| ▸ | PIK3CA | P42336 | 9/20 | 0.98 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 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 SCHEMBL111259 | 1.00 | PIK3CD (0.98) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL29493085 | 0.99 | PIK3CD (1.00) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL109919 | 0.99 | PIK3CD (1.00) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL29356978 | 0.99 | PIK3CD (1.00) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL18281137 | 0.97 | PIK3CD (0.97) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Hydrochloric Acid SCHEMBL17255819 | 0.94 | PIK3CD (0.87) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| SCHEMBL17255824 | 0.93 | PIK3CD (0.88) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL18281136 | 0.92 | PIK3CD (0.85) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| Nemiralisib SCHEMBL15051783 | 0.90 | PIK3CD (0.82) | PIK3CDPIK3CBPIK3CGPIK3CAPIM1 | |
| SCHEMBL23140774 | 0.88 | 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3260453-B1 | OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS | GLAXO GROUP LTD (GB) | 2021-03-31 | — | — | EP | disclosed |
| US-10946025-B2 | Compounds | GLAXO GROUP LIMITED (GB) | 2021-03-16 | — | — | US | disclosed |
| US-20200206237-A1 | NOVEL COMPOUNDS | GLAXO GROUP LTD (GB) | 2020-07-02 | — | — | US | disclosed |
| US-10624898-B2 | Compounds | GLAXO GROUP LIMITED (GB) | 2020-04-21 | — | — | US | disclosed |
| US-20190328744-A1 | NOVEL COMPOUNDS | GLAXO GROUP LTD (GB) | 2019-10-31 | — | — | US | disclosed |
| US-10383879-B2 | Compounds | GLAXO GROUP LIMITED (GB) | 2019-08-20 | — | — | US | disclosed |
| US-20190175608-A1 | NOVEL COMPOUNDS | GLAXO GROUP LTD (GB) | 2019-06-13 | — | — | US | disclosed |
| US-20180325911-A1 | NOVEL COMPOUNDS | GLAXO GROUP LTD (GB) | 2018-11-15 | — | — | US | disclosed |
| EP-3260453-A1 | OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS | Glaxo Group Limited (GB) | 2017-12-27 | — | — | EP | disclosed |
| US-20170157136-A1 | NOVEL COMPOUNDS | GLAXO GROUP LTD (GB) | 2017-06-08 | — | — | US | disclosed |
| US-8586583-B2 | Compounds | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2013-11-19 | — | — | US | disclosed |
| US-8586590-B2 | Compounds | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2013-11-19 | — | — | US | disclosed |
| US-8580797-B2 | Compounds | Glaxo Smith Kline Intellectual Property Development Limited (GB) | 2013-11-12 | — | — | US | disclosed |
| US-8575162-B2 | Compounds | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2013-11-05 | — | — | US | disclosed |
| US-20130165433-A1 | Novel Use | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2013-06-27 | — | — | US | disclosed |
| US-20130131080-A1 | Novel Compounds | GLAXO GROUP LIMITED (GB) | 2013-05-23 | — | — | US | disclosed |
| US-20130096117-A1 | Novel Compounds | GLAXO GROUP LIMITED (GB) | 2013-04-18 | — | — | US | disclosed |
| US-20120046286-A1 | Novel Compounds | HAMBLIN JULIE NICOLE (GB) | 2012-02-23 | — | — | US | disclosed |
| US-20100280029-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | US | disclosed |
| US-20100280045-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-11-04 | — | — | 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 (14 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-20130131080-A1 | Novel Compounds | PIK3CD, PIK3CA, PIK3C2B | PIK3CD 1/4885PIK3CB 4/4885PIK3CG 10/4885 |
| US-10624898-B2 | Compounds | PIK3CA, PIK3CD, PIK3C3 | PIK3CD 2/4885PIK3CB 5/4885PIK3CG 7/4885 |
| US-20170157136-A1 | NOVEL COMPOUNDS | PIK3CA, PIK3CD, PIK3C2B | PIK3CD 2/4885PIK3CB 5/4885PIK3CG 14/4885 |
| US-10383879-B2 | Compounds | PIK3CA, PIK3CD, PIK3C3 | PIK3CD 2/4885PIK3CB 5/4885PIK3CG 7/4885 |
| US-10946025-B2 | Compounds | PIK3CA, PIK3CD, PIK3C3 | PIK3CD 2/4885PIK3CB 5/4885PIK3CG 7/4885 |
| US-20190328744-A1 | NOVEL COMPOUNDS | PIK3CA, PIK3CD, PIK3C2B | PIK3CD 2/4885PIK3CB 4/4885PIK3CG 11/4885 |
| US-20100280045-A1 | NOVEL COMPOUNDS | PLK3, PLK1, PLK2 | PIK3CD 73/4885PIK3CB 51/4885PIK3CG 93/4885 |
| US-20180325911-A1 | NOVEL COMPOUNDS | PIK3CA, PIK3CD, PIK3C2B | PIK3CD 2/4885PIK3CB 4/4885PIK3CG 11/4885 |
| US-20190175608-A1 | NOVEL COMPOUNDS | PIK3CA, PIK3CD, PIK3C2B | PIK3CD 2/4885PIK3CB 4/4885PIK3CG 11/4885 |
| US-20100280029-A1 | NOVEL COMPOUNDS | PIK3CD, PIK3CA, PIK3C2B | PIK3CD 1/4885PIK3CB 4/4885PIK3CG 10/4885 |
| US-20130165433-A1 | Novel Use | HAVCR2, MAVS, ENTPD5 | PIK3CD 2938/4885PIK3CB 1706/4885PIK3CG 2718/4885 |
| US-20120046286-A1 | Novel Compounds | PIK3CD, PIK3CA, PIK3C2B | PIK3CD 1/4885PIK3CB 4/4885PIK3CG 10/4885 |
| US-20130096117-A1 | Novel Compounds | PIK3CD, PIK3CA, PIK3C2B | PIK3CD 1/4885PIK3CB 4/4885PIK3CG 10/4885 |
| US-20200206237-A1 | NOVEL COMPOUNDS | PIK3CA, PIK3CD, PIK3C2B | PIK3CD 2/4885PIK3CB 4/4885PIK3CG 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.