SCHEMBL31258391

SCHEMBL31258391

O=C(C1CNCC(c2ccccc2)C1)N(Cc1ccc(-c2cn[nH]c2)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 16/20 0.47
CTNNB1 P35222 16/20 0.47
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 1/20 0.41

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
SCHEMBL31258376 0.82 CTNNB1 (0.51) BCL9CTNNB1ROCK2
SCHEMBL31258384 0.81 GPR88 (0.43) BCL9CTNNB1
SCHEMBL24873100 0.81 REN (0.53) BCL9CTNNB1ROCK2
SCHEMBL31258387 0.81 REN (0.53) BCL9CTNNB1ROCK2
SCHEMBL31258409 0.80 ROCK2 (0.52) BCL9CTNNB1ROCK2ROCK1
SCHEMBL3247938 0.74 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL31258373 0.69 CTNNB1 (0.54) BCL9CTNNB1ROCK2
SCHEMBL25188654 0.67 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL31258399 0.67 MC4R (0.51)
SCHEMBL23124479 0.67 BCL9 (0.68) BCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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 (1 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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 BCL9 1/4885CTNNB1 15/4885ROCK2 727/4885

“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.