SCHEMBL594111

SCHEMBL594111

CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.58
NPC1 O15118 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
USP30 Q70CQ3 4/20 0.46
GPR119 Q8TDV5 1/20 0.45
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL16391140 1.00 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL594112 1.00 ALDH1A1 (0.60) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL2710342 0.93 ALDH1A1 (0.69) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL15584498 0.87 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL596683 0.85 MAPT (0.58) ALDH1A1MAPTLMNAPOLBGAA
SCHEMBL596682 0.85 MAPT (0.58) ALDH1A1MAPTLMNAPOLBGAA
SCHEMBL596149 0.85 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL596148 0.85 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL596381 0.85 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL16513765 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHTTNPC1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358895-B2 Process for manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and formulations thereof ACEA Therapeutics, Inc. (US) 2025-07-15 US disclosed
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 CN disclosed
US-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof ACEA Therapeutics, Inc. (US) 2021-10-07 US disclosed
CN-112592334-A Pyrimidine derivatives as kinase inhibitors 艾森生物科学公司 2021-04-02 CN disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 EP disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 US disclosed
WO-2015006754-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2015-01-15 WO disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (8 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885MAPT 3561/4885LMNA 4364/4885
US-12358895-B2 Process for manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and formulations thereof BMX, ITK, BLK ALDH1A1 3882/4885MAPT 2914/4885LMNA 3411/4885
US-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK ALDH1A1 4165/4885MAPT 2803/4885LMNA 4138/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885MAPT 3561/4885LMNA 4364/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885MAPT 3561/4885LMNA 4364/4885
US-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof BMX, ITK, BLK ALDH1A1 3882/4885MAPT 2914/4885LMNA 3411/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885MAPT 3561/4885LMNA 4364/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK ALDH1A1 4165/4885MAPT 2803/4885LMNA 4138/4885

“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.