SCHEMBL22911519

SCHEMBL22911519

CC(C)Cc1ccnc(CC(C)Cc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
FDPS P14324 1/20 0.41
PTPRA P18433 1/20 0.41
ALOX5AP P20292 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL23917657 0.89 PGR (0.45) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL2352782 0.84 GRIN2D (0.55) CYP1A2ALDH1A1CYP2C19GRIN2DGRIN3B
SCHEMBL6560519 0.82 GABRA1 (0.42) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL22000551 0.81 CYP1A2 (0.40) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL25893381 0.81 GRIN2D (0.46) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL104860 0.80 GRIN2D (0.55) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL23998925 0.79 HTR2A (0.39) KDM4ESMN1; SMN2
SCHEMBL20832608 0.79 PGR (0.38) PGRADORA3PTGS1SLC6A2CYP1A2
Hydrochloric Acid SCHEMBL28948556 0.79 GRIN2D (0.53) PGRADORA3PTGS1SLC6A2CYP1A2
Ammonia Solution, Strong SCHEMBL5620498 0.79 GRIN2D (0.53) PGRADORA3PTGS1SLC6A2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction H. Lee Moffitt Cancer Center and Research Center Institute, Inc. (US) 2022-12-20 US disclosed
US-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-01-21 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-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION CTNNBL1, CTNNB1, APC PGR 3390/4885ADORA3 4083/4885PTGS1 3473/4885
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction CTNNB1, CTNNBL1, APC PGR 3642/4885ADORA3 4159/4885PTGS1 3311/4885

“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.