Apitolisib

Apitolisib

SCHEMBL466298

Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MTORPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5

The experimentally established mechanism targets of Apitolisib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA known ✓ P42336 20/20 1.00
PIK3CD known ✓ O00329 14/20 1.00
MTOR known ✓ P42345 11/20 1.00
PIK3CB known ✓ P42338 11/20 1.00
PIK3CG known ✓ P48736 10/20 1.00
PIK3R1 known ✓ P27986 1/20 0.56
PIK3C2A O00443 1/20 1.00
PIK3C2B O00750 1/20 1.00
STK10 O94804 1/20 1.00
PAK4 O96013 1/20 1.00
ABL1 P00519 1/20 1.00
EGFR P00533 1/20 1.00
FGR P09769 1/20 1.00
FER P16591 1/20 1.00
PRKCA P17252 1/20 1.00
JAK1 P23458 1/20 1.00
TEC P42680 1/20 1.00
SYK P43405 1/20 1.00
PRKDC P78527 1/20 1.00
MAP3K9 P80192 1/20 1.00

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.

Compoundsimilaritytop predictedshared targets
Apitolisib SCHEMBL31270275 1.00 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
Apitolisib SCHEMBL29447291 1.00 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
Apitolisib SCHEMBL1180678 1.00 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
Apitolisib SCHEMBL466297 1.00 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1182231 0.94 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1181040 0.94 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1181037 0.94 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL11985345 0.94 PIK3CA (0.88) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1180941 0.92 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1180938 0.92 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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 364 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US claimed
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD (AU) 2021-12-09 US claimed
EP-3860575-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS Race Oncology Ltd. (AU) 2021-08-11 EP claimed
US-20210186980-A1 COMPOSITION FOR PREVENTION OR TREATMENT OF INTRACTABLE EPILEPSY COMPRISING mTOR INHIBITOR SOVARGEN CO., LTD. (KR) 2021-06-24 US claimed
WO-2020072948-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD. (AU) 2020-04-09 WO claimed
US-10323228-B2 Differentiation of hepatocyte-like cells from stem cells AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-06-18 US claimed
US-20190070166-A1 Optimized Method for Treating and Curing Arthritis, Diabetes, Multiple Sclerosis and Other Autoimmune Disease POSTREL RICHARD (US) 2019-03-07 US claimed
US-20170260503-A1 DIFFERENTIATION OF HEPATOCYTE-LIKE CELLS FROM STEM CELLS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-09-14 US claimed
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 EP claimed
EP-2205242-B1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH INC (US) 2015-04-15 EP claimed
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 US claimed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 US claimed
US-20100233164-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES GENENTECH, INC. 2010-09-16 US claimed
WO-2010105008-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES GENENTECH, INC. (US) 2010-09-16 WO claimed
EP-2205242-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE Genentech, Inc. (US) 2010-07-14 EP claimed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP claimed
US-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. 2009-04-16 US claimed
WO-2009036082-A2 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE GENENTECH, INC. (US) 2009-03-19 WO claimed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 US claimed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090098135-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS, AND METHODS OF USE PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885PIK3CD 2/4885MTOR 17/4885
US-20100233164-A1 COMBINATIONS OF PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF HEMATOPOIETIC MALIGNANCIES PIK3CA, PIK3CD, MCL1 PIK3CA 1/4885PIK3CD 2/4885MTOR 33/4885
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CD 5/4885MTOR 11/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 PIK3CA 2400/4885PIK3CD 3852/4885MTOR 4582/4885
US-20210186980-A1 COMPOSITION FOR PREVENTION OR TREATMENT OF INTRACTABLE EPILEPSY COMPRISING mTOR INHIBITOR MTOR, MAPKAP1, RPTOR PIK3CA 358/4885PIK3CD 146/4885MTOR 1/4885
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; PI4KA, DMPK, PDPK1 PIK3CA 9/4885PIK3CD 11/4885MTOR 8/4885

“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.