SCHEMBL7953527

SCHEMBL7953527

COc1cccc(-n2c(=O)c3c[nH]c4ccccc4n-3c2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
NTRK2 Q16620 1/20 0.47
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 3/20 0.44
CYP1A2 P05177 1/20 0.43
TP53 P04637 1/20 0.42
CCKBR P32239 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7953532 0.88 MAPT (0.51) NTRK1IGF1RFGFR1NTRK2NPSR1
SCHEMBL7949713 0.87 NTRK1 (0.41) NTRK1NTRK2NPSR1LMNAMAPT
SCHEMBL7949708 0.85 MAPT (0.47) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7949177 0.84 KDM4E (0.51) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7941798 0.83 PGR (0.46) LMNAMEN1KMT2AGAA
SCHEMBL7941781 0.82 ADORA3 (0.43) LMNAMAPTGAATP53ALDH1A1
SCHEMBL7947998 0.79 ALDH1A1 (0.41) LMNAMAPTMEN1KMT2AHTT
SCHEMBL7941792 0.78 SMN1; SMN2 (0.43) NPSR1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL7949735 0.77 KMT2A (0.42) NTRK1NTRK2NPSR1LMNAMAPT
SCHEMBL7949717 0.77 MAPT (0.53) NPSR1LMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US claimed
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP claimed
US-5688654-A GAMMA-AMINOBUTYRIC ACID NEUROGEN CORPORATION (US) 1997-11-18 US claimed
EP-0639275-B1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORP (US) 1997-09-17 EP claimed
EP-0639275-A1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES. NEUROGEN CORP (US) 1995-02-22 EP claimed
WO-1993022681-A1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORPORATION (US) 1993-11-11 WO claimed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP claimed
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US claimed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO claimed
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US disclosed
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP disclosed
US-5744602-A PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS NEUROGEN CORPORATION (US) 1998-04-28 US disclosed
EP-0639275-B1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORP (US) 1997-09-17 EP disclosed
US-5597920-A Gabaa receptor subtypes and methods for screening drug compounds using imidazoquinoxalines and pyrrolopyrimidines to bind to gabaa receptor subtypes NEUROGEN CORPORATION (US) 1997-01-28 US disclosed
EP-0639275-A1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES. NEUROGEN CORP (US) 1995-02-22 EP disclosed
WO-1993022681-A1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORPORATION (US) 1993-11-11 WO disclosed
EP-0555391-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1993-08-18 EP disclosed
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US disclosed
WO-1992007853-A1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1992-05-14 WO disclosed