SCHEMBL18257902

SCHEMBL18257902

CCOC(=O)Cn1c2ccccc2c2nc3nonc3nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 1.00
ALDH1A1 P00352 4/20 0.74
HSD17B10 Q99714 2/20 0.74
KDM4E B2RXH2 2/20 0.74
HPGD P15428 1/20 0.74
TSHR P16473 1/20 0.74
SAE1 Q9UBE0 1/20 0.74
UBA2 Q9UBT2 1/20 0.74
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
TCF4 P15884 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL18257903 0.87 CTNNB1 (1.00) CTNNB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20147884 0.85 CTNNB1 (0.79) CTNNB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL18249656 0.84 CTNNB1 (1.00) CTNNB1KDM4ETCF4
SCHEMBL4376300 0.82 ALDH1A1 (0.84) CTNNB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20147874 0.81 CTNNB1 (0.67) CTNNB1ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL18257906 0.81 CTNNB1 (1.00) CTNNB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20149720 0.80 CTNNB1 (0.85) CTNNB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20147882 0.79 CTNNB1 (0.78) CTNNB1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20147881 0.79 CTNNB1 (0.70) CTNNB1ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL20147875 0.79 CTNNB1 (0.80) CTNNB1ALDH1A1HSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-30 US disclosed
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-04-30 US disclosed
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-04-30 US disclosed
US-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2018-05-17 US disclosed
US-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2018-05-17 US disclosed
WO-2016187050-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5]OXADIAZOLO[3',4':5,6] PYRAZIONO[2,3-B]INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-11-24 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 (3 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-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, WNT3A CTNNB1 1/4885ALDH1A1 4213/4885HSD17B10 3431/4885
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF XIAP, BIRC5, TP53 CTNNB1 1509/4885ALDH1A1 2712/4885HSD17B10 4203/4885
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions CTNNB1, CTNNBL1, WNT3A CTNNB1 1/4885ALDH1A1 4237/4885HSD17B10 3401/4885

“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.