SCHEMBL18249665

SCHEMBL18249665

N#CCn1c2ccccc2c2nc3nonc3nc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.77
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
HPGD P15428 1/20 0.57
TCF4 P15884 1/20 0.56
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 4/20 0.43
USP2 O75604 2/20 0.43
MAPT P10636 2/20 0.43
HCRTR1 O43613 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL18249616 0.87 CTNNB1 (1.00) CTNNB1ALDH1A1KDM4ENPC1HPGD
SCHEMBL18249609 0.85 CTNNB1 (0.86) CTNNB1ALDH1A1KDM4ENPC1HPGD
SCHEMBL20147874 0.82 CTNNB1 (0.67) CTNNB1ALDH1A1KDM4ENPC1TCF4
SCHEMBL1614412 0.81 ALDH1A1 (1.00) CTNNB1ALDH1A1KDM4ENPC1HPGD
Hydrochloric Acid SCHEMBL10770348 0.80 ALDH1A1 (0.97) CTNNB1ALDH1A1KDM4ENPC1HPGD
SCHEMBL20147881 0.80 CTNNB1 (0.70) CTNNB1ALDH1A1KDM4ENPC1TCF4
SCHEMBL20149529 0.78 CTNNB1 (0.67) CTNNB1ALDH1A1KDM4ENPC1HPGD
SCHEMBL18249656 0.77 CTNNB1 (1.00) CTNNB1KDM4ETCF4
SCHEMBL20147886 0.77 CTNNB1 (0.70) CTNNB1ALDH1A1KDM4ENPC1HPGD
SCHEMBL20147884 0.76 CTNNB1 (0.79) CTNNB1ALDH1A1KDM4ENPC1HPGD

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 7 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
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 4213/4885KDM4E 2497/4885
US-20210299123-A1 SURVIVIN-TARGETING ANTI-TUMOR AGENTS AND USES THEREOF XIAP, BIRC5, TP53 CTNNB1 1509/4885ALDH1A1 2712/4885KDM4E 4302/4885
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 4237/4885KDM4E 2264/4885

“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.