SCHEMBL2611032

SCHEMBL2611032

CC(C)c1cccc2c1NC(=O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
PDK2 Q15119 1/20 0.44
TDP2 O95551 3/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MAP3K14 Q99558 1/20 0.42
SMYD3 Q9H7B4 2/20 0.39
GRM5 P41594 1/20 0.39
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8919465 0.84 NPC1 (0.46) AHRGABRA1GABRG2GABRB3FAAH
SCHEMBL20133675 0.83 AHR (0.50) AHRPDK2TDP2CASP3CASP7
SCHEMBL2078454 0.82 AHR (0.56) AHRPDK2TDP2CASP3CASP7
Hydrochloric Acid SCHEMBL32664892 0.81 AHR (0.48) AHRPDK2TDP2CASP3CASP7
SCHEMBL21739937 0.80 AHR (0.46) AHRPDK2TDP2CASP3CASP7
SCHEMBL22794021 0.79 TDP2 (0.58) AHRPDK2TDP2CASP3CASP7
SCHEMBL9924221 0.79 GABRA1 (0.36) AHRGABRA1GABRG2GABRB3FAAH
SCHEMBL10650600 0.78 AHR (0.51) AHRPDK2TDP2CASP3CASP7
SCHEMBL10648269 0.77 AHR (0.46) AHRPDK2TDP2CASP3CASP7
SCHEMBL433799 0.76 AHR (0.61) AHRPDK2TDP2CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059661-A1 N-(BENZHYDRYL)CYCLOALKYLCARBOXAMIDE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO INC (US) 2023-01-05 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-02-11 US disclosed
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2019-09-26 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-05-12 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 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 (15 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL AHR 4732/4885PDK2 281/4885TDP2 712/4885
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B AHR 4836/4885PDK2 368/4885TDP2 836/4885
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB AHR 2728/4885PDK2 119/4885TDP2 884/4885
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR AHR 2693/4885PDK2 334/4885TDP2 3880/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG AHR 3287/4885PDK2 583/4885TDP2 301/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA AHR 4129/4885PDK2 217/4885TDP2 1123/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR AHR 2693/4885PDK2 334/4885TDP2 3880/4885
US-20190290771-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT AHR 3001/4885PDK2 4190/4885TDP2 2001/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA AHR 3847/4885PDK2 103/4885TDP2 786/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 AHR 2472/4885PDK2 1991/4885TDP2 898/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 AHR 1942/4885PDK2 2163/4885TDP2 1219/4885
US-20230000993-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT AHR 3001/4885PDK2 4190/4885TDP2 2001/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 AHR 3643/4885PDK2 2505/4885TDP2 4432/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 AHR 3247/4885PDK2 826/4885TDP2 663/4885
US-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT DRD3, DRD2, DRD1 AHR 620/4885PDK2 2026/4885TDP2 4565/4885

“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.