Opaviraline

Opaviraline

SCHEMBL464732

CC[C@H]1C(=O)Nc2ccc(F)cc2N1C(=O)OC(C)C

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
ECE1 P42892 1/20 0.34
CACNA1F O60840 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
CETP P11597 2/20 0.32

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
Opaviraline SCHEMBL29388810 1.00 KMT2A (0.43) KMT2AMAPK1MEN1MAOBMAPT
Opaviraline SCHEMBL865250 1.00 KMT2A (0.43) KMT2AMAPK1MEN1MAOBMAPT
SCHEMBL8001613 0.84 KMT2A (0.43) KMT2AMAPK1MEN1MAPTALDH1A1
SCHEMBL29778101 0.84 GAA (0.35) KMT2AMAOBMAPTALDH1A1GAA
SCHEMBL4158564 0.83 KMT2A (0.48) KMT2AMAPK1MEN1MAPT
SCHEMBL4916100 0.77 MAPK1 (0.48) KMT2AMAPK1MEN1MAPTALDH1A1
SCHEMBL4870381 0.77 MAPK1 (0.48) KMT2AMAPK1MEN1MAPTALDH1A1
SCHEMBL4870172 0.77 MAPK1 (0.48) KMT2AMAPK1MEN1MAPTALDH1A1
SCHEMBL8683704 0.74 IDH1 (0.37) KMT2AMAPK1MAPTALDH1A1
SCHEMBL7801615 0.74 IDH1 (0.37) KMT2AMAPK1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 EP claimed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP claimed
US-20020165233-A1 Quinoxaline containing medicaments for post exposure prophylaxis of an HIV infection MORI KAZUYASU (JP) 2002-11-07 US claimed
WO-2000018384-A2 ANTIVIRAL COMBINATIONS COMPRISING (S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDRO-2H-QUINOXALINE-1-CARBOXYLIC ACID ISOPROPYL ESTER AND AMPRENAVIR GLAXO GROUP LIMITED (GB) 2000-04-06 WO claimed
WO-2000018383-A2 ANTIVIRAL COMBINATIONS COMPRISING (S)-2- ETHYL-7- FLUORO-3- OXO-3,4- DIHYDRO-2H- QUINOXALINE-1- CARBOXYLIC ACID ISOPROPYL ESTER GLAXO GROUP LIMITED (GB) 2000-04-06 WO claimed
CN-119118932-A Preparation method of C3-alkyl substituted quinoxalinone compound under heterogeneous photocatalysis 南京工业大学 2024-12-13 CN disclosed
CN-114907277-B Quinoxalinone asymmetric hydrogenation process 哈尔滨工业大学(深圳) 2024-08-06 CN disclosed
CN-117402029-A Synthesis method of chiral quinoxalinone 西安交通大学 2024-01-16 CN disclosed
US-11419879-B2 Methods for treating and preventing viral infections ENTERIN, INC. (US) 2022-08-23 US disclosed
US-20220226310-A1 Bio-Based Medicines and Methods of Increasing Patient Compliance RDE PHARMA 2022-07-21 US disclosed
WO-2022133182-A1 METHOD OF TREATING CORONAVIRUS INFECTION CHAN ZUCKERBERG BIOHUB, INC. (US) 2022-06-23 WO disclosed
US-9233943-B2 Process for synthesis of syn azido epdxide and its use as intermediate for the synthesis of amprenavir and saquinavir COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-12 US disclosed
WO-2000044729-A1 CRYSTALLINE QUINOXALINE DERIVATIVE GLAXO GROUP LIMITED (GB) 2000-08-03 WO disclosed
WO-2000044729-A1 CRYSTALLINE QUINOXALINE DERIVATIVE GLAXO GROUP LIMITED (GB) 2000-08-03 WO disclosed
WO-2000018383-A3 ANTIVIRAL COMBINATIONS COMPRISING (S)-2- ETHYL-7- FLUORO-3- OXO-3,4- DIHYDRO-2H- QUINOXALINE-1- CARBOXYLIC ACID ISOPROPYL ESTER GLAXO GROUP LTD (GB) 2000-07-06 WO disclosed
WO-2000018384-A3 ANTIVIRAL COMBINATIONS COMPRISING (S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDRO-2H-QUINOXALINE-1-CARBOXYLIC ACID ISOPROPYL ESTER AND AMPRENAVIR GLAXO GROUP LTD (GB) 2000-06-08 WO disclosed
WO-2000018384-A2 ANTIVIRAL COMBINATIONS COMPRISING (S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDRO-2H-QUINOXALINE-1-CARBOXYLIC ACID ISOPROPYL ESTER AND AMPRENAVIR GLAXO GROUP LIMITED (GB) 2000-04-06 WO disclosed
WO-2000018384-A2 ANTIVIRAL COMBINATIONS COMPRISING (S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDRO-2H-QUINOXALINE-1-CARBOXYLIC ACID ISOPROPYL ESTER AND AMPRENAVIR GLAXO GROUP LIMITED (GB) 2000-04-06 WO disclosed
WO-2000018383-A2 ANTIVIRAL COMBINATIONS COMPRISING (S)-2- ETHYL-7- FLUORO-3- OXO-3,4- DIHYDRO-2H- QUINOXALINE-1- CARBOXYLIC ACID ISOPROPYL ESTER GLAXO GROUP LIMITED (GB) 2000-04-06 WO disclosed
WO-2000018383-A2 ANTIVIRAL COMBINATIONS COMPRISING (S)-2- ETHYL-7- FLUORO-3- OXO-3,4- DIHYDRO-2H- QUINOXALINE-1- CARBOXYLIC ACID ISOPROPYL ESTER GLAXO GROUP LIMITED (GB) 2000-04-06 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 (3 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-20220226310-A1 Bio-Based Medicines and Methods of Increasing Patient Compliance PAH, BPGM, TPMT KMT2A 2991/4885MAPK1 4043/4885MEN1 1533/4885
US-20020165233-A1 Quinoxaline containing medicaments for post exposure prophylaxis of an HIV infection CD68, G6PD, CD4 KMT2A 1652/4885MAPK1 2237/4885MEN1 3858/4885
US-11419879-B2 Methods for treating and preventing viral infections STING1, TSLP, MAVS KMT2A 3381/4885MAPK1 4544/4885MEN1 2708/4885

“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.