SCHEMBL1901480

SCHEMBL1901480

O=c1[nH]c2ccccc2nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
KDM4E B2RXH2 8/20 1.00
NPC1 O15118 7/20 1.00
HSD17B10 Q99714 3/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PLAUR Q03405 1/20 0.58
GAA P10253 2/20 0.56
STK33 Q9BYT3 1/20 0.56
ADORA3 P0DMS8 1/20 0.55
ADORA1 P30542 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.54
PYGM P11217 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL29820118 1.00 RAB9A (1.00) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL29101820 0.88 KDM4E (0.78) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL30637057 0.88 KDM4E (0.78) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL28362353 0.86 KDM4E (1.00) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL31448344 0.86 KDM4E (1.00) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL28365990 0.86 KDM4E (0.76) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL12794447 0.86 RAB9A (0.76) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL30637061 0.86 KDM4E (0.76) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL2630604 0.85 RAB9A (0.74) RAB9AKDM4ENPC1HSD17B10CASP1
SCHEMBL30637056 0.83 KDM4E (0.71) RAB9AKDM4ENPC1HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4181724-A Quinoxalinone compounds useful for expanding the lumina or air passages in mammals THE UPJOHN COMPANY (US) 1980-01-01 US claimed
US-20260103446-A1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2026-04-16 US disclosed
EP-4019501-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2026-02-04 EP disclosed
US-12503447-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-23 US disclosed
US-12391654-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-08-19 US disclosed
CN-116143751-B Quinoxalinone compound containing styrylpyridine and preparation method thereof 中国人民解放军军事科学院防化研究院 2025-07-15 CN disclosed
US-20250109113-A1 CFTR REGULATORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-04-03 US disclosed
US-12187694-B2 SLC26A3 inhibitors and use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-07 US disclosed
US-12065412-B2 CFTR regulators and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-08-20 US disclosed
EP-4071140-B1 CFTR REGULATORS AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2024-07-03 EP disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
EP-1615613-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2006-01-18 EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 WO disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 WO disclosed
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 US disclosed
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 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-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC RAB9A 2677/4885KDM4E 856/4885NPC1 368/4885
US-12187694-B2 SLC26A3 inhibitors and use thereof SLC26A3, SLC10A2, ORAI3 RAB9A 2807/4885KDM4E 4836/4885NPC1 1326/4885
US-12065412-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 RAB9A 1086/4885KDM4E 4709/4885NPC1 579/4885
US-12391654-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 RAB9A 1086/4885KDM4E 4709/4885NPC1 579/4885
US-20260103446-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, CLCN2, SLC26A3 RAB9A 3079/4885KDM4E 4660/4885NPC1 402/4885
US-12503447-B2 CFTR regulators and methods of use thereof CFTR, SLC26A4, CLCN2 RAB9A 1086/4885KDM4E 4709/4885NPC1 579/4885
US-20030207886-A1 Preparation containing quinoxaline derivatives CUTA, XPA, NQO2 RAB9A 989/4885KDM4E 467/4885NPC1 4650/4885
US-20250109113-A1 CFTR REGULATORS AND METHODS OF USE THEREOF CFTR, SLC26A4, CLCN2 RAB9A 1086/4885KDM4E 4709/4885NPC1 579/4885

“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.