SCHEMBL22911522

SCHEMBL22911522

CC(C)Cc1cncc(CC(C)Cc2ccncn2)n1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL681106 0.85 HSP90AA1 (0.38) KCNH3PDE4A
SCHEMBL2718827 0.77 NOS3 (0.42)
SCHEMBL18652595 0.76 PDE4A (0.36) KCNH3PDE4A
SCHEMBL24496491 0.71 HSP90AA1 (0.35) KCNH3PDE4A
SCHEMBL22409600 0.71 HSP90AA1 (0.40) PDE4A
SCHEMBL8513553 0.71 NOS2 (0.38) KCNH3PDE4A
SCHEMBL22503007 0.70 ALDH1A1 (0.33)
SCHEMBL22307825 0.69 FAAH (0.38)
SCHEMBL10203026 0.67 SYK (0.38) KCNH3
SCHEMBL19441910 0.67 ESR1 (0.32)

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 KCNH3 4457/4885PDE4A 3833/4885
US-11530186-B2 Inhibitors for the β-catenin / T-cell factor protein-protein interaction CTNNB1, CTNNBL1, APC KCNH3 4519/4885PDE4A 3745/4885

“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.