SCHEMBL121242

SCHEMBL121242

O=c1[nH]c2ccc(F)cc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
GRIN2D O15399 5/20 0.56
GRIN3B O60391 5/20 0.56
GRIN1 Q05586 5/20 0.56
GRIN2A Q12879 5/20 0.56
GRIN2B Q13224 5/20 0.56
GRIN2C Q14957 5/20 0.56
GRIN3A Q8TCU5 5/20 0.56
DAO P14920 4/20 0.55
DDO Q99489 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
GRIA1 P42261 2/20 0.48
GRIA2 P42262 2/20 0.48
GRIA3 P42263 2/20 0.48
GRIA4 P48058 2/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL8874136 0.91 KDM4E (0.83) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29798542 0.86 KDM4E (0.75) KDM4EDAODDOMEN1ALDH1A1
SCHEMBL742657 0.86 KDM4E (0.75) KDM4EDAODDOMEN1ALDH1A1
SCHEMBL8873789 0.80 KDM4E (0.67) KDM4EDAODDOMEN1ALDH1A1
SCHEMBL38658790 0.76 KDM4E (0.61) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL4030881 0.76 KDM4E (0.61) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL4778716 0.74 DAO (0.68) KDM4EDAODDOPARP1
SCHEMBL2151265 0.74 PGR (0.68) KDM4EDAOALDH1A1LMNAHPGD
SCHEMBL8871521 0.74 DAO (0.62) KDM4EDAODDOALDH1A1LMNA
SCHEMBL123451 0.74 KDM4E (0.58) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200231553-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2020-07-23 US disclosed
US-20200231553-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2020-07-23 US disclosed
US-10570101-B2 Quinoxalinyl-piperazinamide methods of use REXAHN PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-10570101-B2 Quinoxalinyl-piperazinamide methods of use REXAHN PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
US-20180290985-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2018-10-11 US disclosed
EP-3344250-A2 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE Rexahn Pharmaceuticals, Inc. (US) 2018-07-11 EP disclosed
US-9969698-B2 Quinoxalinyl-piperazinamide methods of use REXAHN PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969698-B2 Quinoxalinyl-piperazinamide methods of use REXAHN PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170066726-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
WO-2017040980-A2 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE REXAHN PHARMACEUTICALS, INC. (US) 2017-03-09 WO disclosed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO disclosed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO disclosed
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP disclosed
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 US disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE 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) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY 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) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE 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 (US) 1996-05-07 US disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 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 (5 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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R KDM4E 2545/4885GRIN2D 1163/4885GRIN3B 525/4885
US-10570101-B2 Quinoxalinyl-piperazinamide methods of use NQO2, CYP3A5, NQO1 KDM4E 3492/4885GRIN2D 648/4885GRIN3B 1096/4885
US-20180290985-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE NQO2, CYP3A5, NQO1 KDM4E 3492/4885GRIN2D 648/4885GRIN3B 1096/4885
US-20200231553-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE NQO2, CYP3A5, NQO1 KDM4E 3492/4885GRIN2D 648/4885GRIN3B 1096/4885
US-20170066726-A1 QUINOXALINYL-PIPERAZINAMIDE METHODS OF USE NQO2, CYP3A5, NQO1 KDM4E 3492/4885GRIN2D 648/4885GRIN3B 1096/4885

“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.