SCHEMBL3925191

SCHEMBL3925191

O=C([O-])c1ccn2c(-c3cccc(Cl)c3)cnc2c1.[Na+]

nearest known ligand 0.67

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 known ✓ P18507 1/20 0.41
GABRB3 known ✓ P28472 1/20 0.41
GABRA3 known ✓ P34903 1/20 0.41
HPGD P15428 1/20 0.67
KDR P35968 8/20 0.56
FGFR3 P22607 7/20 0.56
DYRK3 O43781 3/20 0.48
DYRK1A Q13627 3/20 0.48
DYRK2 Q92630 3/20 0.48
DYRK1B Q9Y463 3/20 0.48
CCNT1 O60563 2/20 0.48
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CDK9 P50750 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
BACE1 P56817 1/20 0.48
RIPK2 O43353 1/20 0.44
LYN P07948 1/20 0.44
AURKA O14965 1/20 0.43

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
SCHEMBL3923867 0.88 HPGD (0.70) HPGDKDRFGFR3DYRK3DYRK1A
SCHEMBL3925188 0.86 HPGD (0.69) HPGDKDRFGFR3DYRK3DYRK1A
SCHEMBL3925199 0.86 HPGD (0.69) HPGDKDRFGFR3DYRK3DYRK1A
SCHEMBL24329732 0.83 HPGD (0.65) HPGDKDRFGFR3DYRK3DYRK1A
SCHEMBL23675321 0.81 HPGD (1.00) HPGDKDRFGFR3
SCHEMBL3995394 0.81 HPGD (0.45) HPGDKDRFGFR3
SCHEMBL3022584 0.77 KDR (0.69) HPGDKDRFGFR3DYRK1ARIPK2
SCHEMBL73247 0.74 BACE1 (0.62) HPGDKDRFGFR3DYRK3DYRK1A
SCHEMBL13763112 0.74 HPGD (0.55) HPGDKDRFGFR3FYN
SCHEMBL3922928 0.73 ALDH1A1 (0.52) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563797-B2 Substituted imidazo(1,2-A)pyrimidines and imidazo(1,2-A) pyridines as cannabinoid receptor ligands Forest Laboratories Holding Limited (BM) 2009-07-21 US disclosed
US-20080058350-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-03-06 US 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-20080058350-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES CNR2, CNR1, P2RY4 GABRG2 198/4885GABRB3 305/4885GABRA3 125/4885

“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.