SCHEMBL6785495

SCHEMBL6785495

Cn1ncc2[nH]c3ccc(Cc4ccc([O-])cc4)cc3c(=O)c21.[Na+]

nearest known ligand 0.36

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
GABRA1 known ✓ P14867 5/20 0.35
GABRB2 known ✓ P47870 5/20 0.35
GABRB1 known ✓ P18505 1/20 0.33
GABRA3 known ✓ P34903 1/20 0.33
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
NTRK1 P04629 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6785795 0.89 GABRA1 (0.44) GABRA1GABRB2KDM4EALDH1A1GABRB1
SCHEMBL6785384 0.88 CCNC (0.40) HPGDLMNACYP2C9GABRA1GABRB2
SCHEMBL6782572 0.88 KIF11 (0.38) HPGDLMNACYP2C9GABRA1GABRB2
SCHEMBL6786766 0.88 PRMT5 (0.36) HPGDLMNACYP2C9GABRA1GABRB2
SCHEMBL6785560 0.86 ABCG2 (0.42) KDM4EALDH1A1CDC25ACDC25BHIF1A
SCHEMBL6783054 0.85 MAPK1 (0.32) HPGDLMNAGABRA1GABRB2NTRK1
SCHEMBL6784477 0.85 CHUK (0.38) HPGDLMNACYP2C9GABRA1GABRB2
SCHEMBL6789023 0.84 SMN1; SMN2 (0.47) GABRA1GABRB2KDM4EALDH1A1NPC1
SCHEMBL6785787 0.83 PRMT5 (0.39) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL6784781 0.83 BPTF (0.41) HPGDGABRA1GABRB2NTRK1KDM4E

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-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US disclosed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 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-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG GABRA1 883/4885GABRB2 934/4885GABRB1 845/4885

“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.