SCHEMBL30639102

SCHEMBL30639102

CC(C)(C)OC(=O)Nc1ccc2nc3n(c(=O)c2c1)-c1ccc(-c2nn[n-]n2)cc1C3=O.[Na+]

nearest known ligand 0.42

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 11)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 17/20 0.42
▸ IDO1 P14902 15/20 0.42
▸ IDO2 Q6ZQW0 9/20 0.42
▸ APAF1 O14727 2/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL30639071 0.85 TDO2 (0.43) TDO2IDO1IDO2APAF1
SCHEMBL26857588 0.85 TDO2 (0.43) TDO2IDO1IDO2APAF1
SCHEMBL9222336 0.81 TDO2 (0.63) TDO2IDO1IDO2APAF1MEN1
SCHEMBL26857585 0.79 TDO2 (0.46) TDO2IDO1IDO2APAF1MEN1
SCHEMBL31382842 0.79 TDO2 (0.46) TDO2IDO1IDO2APAF1MEN1
SCHEMBL9115282 0.74 IDO1 (0.55) TDO2IDO1IDO2APAF1MEN1
SCHEMBL26614198 0.73 TDO2 (0.47) TDO2IDO1IDO2APAF1MEN1
SCHEMBL30639070 0.72 IDO1 (0.58) TDO2IDO1IDO2APAF1MEN1
SCHEMBL26614098 0.67 IDO1 (0.67) TDO2IDO1IDO2APAF1MEN1
SCHEMBL26614260 0.66 TDO2 (0.52) TDO2IDO1IDO2APAF1MEN1

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-20250171452-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. 2025-05-29 — — US disclosed
EP-4514804-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF Viscient Bio, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — 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-20250171452-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF IDO2, IDO1, TPSB2 TDO2 8/4885IDO1 2/4885IDO2 1/4885

“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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