SCHEMBL5769722

SCHEMBL5769722

Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 13/20 1.00
GRIN3B O60391 13/20 1.00
GRIN1 Q05586 13/20 1.00
GRIN2A Q12879 13/20 1.00
GRIN2B Q13224 13/20 1.00
GRIN2C Q14957 13/20 1.00
GRIN3A Q8TCU5 13/20 1.00
GRIA1 P42261 3/20 0.70
GRIA2 P42262 3/20 0.70
GRIA3 P42263 3/20 0.70
GRIA4 P48058 3/20 0.70
HSD17B10 Q99714 3/20 0.70
LMNA P02545 2/20 0.70
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 1/20 0.70
CYP1A2 P05177 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.70

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
SCHEMBL1440205 0.86 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
2,3-Dihydroxy-6,7-Dichloroquinoxaline SCHEMBL30561497 0.83 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
2,3-Dihydroxy-6,7-Dichloroquinoxaline SCHEMBL463608 0.83 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL121942 0.83 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22198960 0.79 GRIN2D (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19068666 0.77 ALDH1A1 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7469933 0.74 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21949134 0.74 GRIA1 (0.78) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27474539 0.74 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9389319 0.73 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1103770-C Quinoxalinediones PFIZER RES AND DEV CO N V S A (IE) 2003-03-26 CN disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
EP-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed
US-5863917-A ANXIOLYTIC AGENT, ANTICONVULSANTS, ANALGESICS AND NEUROPROTECTIVES. PFIZER, INC. (US) 1999-01-26 US disclosed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed
WO-1997031902-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-04 WO disclosed
EP-0792874-A1 Quinoxaline derivatives useful in therapy Pfizer Limited (GB) 1997-09-03 EP disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 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 (1 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 GRIN2D 1163/4885GRIN3B 525/4885GRIN1 530/4885

“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.