SCHEMBL2908306

SCHEMBL2908306

CC(C)c1ccc2oc3cc(C(=O)[O-])c(N)nc3c(=O)c2c1.[Na+]

nearest known ligand 0.57

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 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4D known ✓ Q08499 1/20 0.57
▸ PDE3A known ✓ Q14432 1/20 0.57
▸ TBK1 Q9UHD2 19/20 0.57
▸ IKBKE Q14164 10/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ TTR P02766 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ GPR35 Q9HC97 1/20 0.57
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL2901850 0.89 TBK1 (0.72) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2908311 0.88 TBK1 (0.71) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2908309 0.88 TBK1 (0.71) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11394403 0.84 TBK1 (0.44) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11358113 0.83 TBK1 (0.53) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2907058 0.83 TTR (0.46) TBK1IKBKEKDM4ENPC1TTR
SCHEMBL11394398 0.82 TBK1 (0.43) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL2907362 0.79 TBK1 (0.56) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11107442 0.77 TBK1 (0.51) TBK1IKBKEKDM4ENPC1ABCC4
SCHEMBL11102044 0.77 TBK1 (0.56) TBK1IKBKEKDM4ENPC1ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968981-B1 AZAXANTHONES AND USE THEREOF FOR TREATING TUMORS SUPRATEK PHARMA INC (CA) 2010-08-18 — — EP disclosed
US-7772255-B2 Method of treating tumors with azaxanthones SUPRATEK PHARMA, INC. (CA) 2010-08-10 — — US disclosed
US-20090042923-A1 Method of Treating Tumors with Azaxanthones SEMOV ALEXANDRE 2009-02-12 — — US disclosed
US-20070135473-A1 Method of treating tumors with azaxanthones SUPRATEK PHARMA, INC. 2007-06-14 — — 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 (2 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-20070135473-A1 Method of treating tumors with azaxanthones S100A4, S100B, S100P PDE4D 4225/4885PDE3A 4457/4885TBK1 2135/4885
US-20090042923-A1 Method of Treating Tumors with Azaxanthones S100A4, S100P, S100B PDE4D 4295/4885PDE3A 4541/4885TBK1 2247/4885

“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.

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