SCHEMBL3922928

SCHEMBL3922928

O=C([O-])c1ccn2cc(-c3cccc(Cl)c3)nc2c1.[Na+]

nearest known ligand 0.52

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
ALDH1A1 P00352 10/20 0.52
KDM4E B2RXH2 9/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.52
RAB9A P51151 9/20 0.46
NPC1 O15118 6/20 0.46
NR4A2 P43354 2/20 0.46
SMN1; SMN2 Q16637 8/20 0.45
HPGD P15428 4/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 2/20 0.45
GFER P55789 2/20 0.43
POLB P06746 2/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HDAC1 Q13547 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL3929582 0.88 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL3922925 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL3922934 0.86 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL3922955 0.83 RAB9A (0.55) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL6391701 0.74 RAB9A (0.69) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL13763109 0.74 RXFP1 (0.51) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL1457799 0.73 HDAC1 (0.57) ALDH1A1KDM4ELMNARAB9ANPC1
SCHEMBL3925191 0.73 HPGD (0.67) HPGD
SCHEMBL28396792 0.71 TLR9 (0.61) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL5905796 0.70 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAKMT2ARAB9A

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 3 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
WO-2008027812-A2 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-03-06 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 (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 ALDH1A1 3141/4885KDM4E 1477/4885LMNA 4165/4885

“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.