SCHEMBL18249656

SCHEMBL18249656

O=C(O)Cn1c2ccccc2c2nc3nonc3nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 1.00
AKR1B10 O60218 2/20 0.58
AKR1B1 P15121 2/20 0.58
TCF4 P15884 1/20 0.55
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL20147884 0.88 CTNNB1 (0.79) CTNNB1AKR1B10AKR1B1TCF4KDM4E
SCHEMBL18249664 0.87 CTNNB1 (1.00) CTNNB1TCF4KDM4E
SCHEMBL18249657 0.85 CTNNB1 (1.00) CTNNB1AKR1B10AKR1B1TCF4KDM4E
SCHEMBL18257902 0.84 CTNNB1 (1.00) CTNNB1TCF4KDM4E
SCHEMBL1611668 0.82 KMT2A (0.71) CTNNB1AKR1B10AKR1B1KDM4E
SCHEMBL20147875 0.81 CTNNB1 (0.80) CTNNB1TCF4KDM4E
SCHEMBL20147874 0.81 CTNNB1 (0.67) CTNNB1TCF4KDM4E
SCHEMBL20149529 0.80 CTNNB1 (0.67) CTNNB1TCF4KDM4E
SCHEMBL18249633 0.80 CTNNB1 (1.00) CTNNB1TCF4
SCHEMBL20147882 0.80 CTNNB1 (0.78) CTNNB1TCF4KDM4E

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 8 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
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
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 1/4885AKR1B10 3701/4885AKR1B1 2973/4885
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF XIAP, BIRC5, TP53 CTNNB1 1509/4885AKR1B10 3396/4885AKR1B1 2804/4885
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 1/4885AKR1B10 3778/4885AKR1B1 3072/4885

“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.