SCHEMBL31258400

SCHEMBL31258400

NC(=O)NCc1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.60
AKT2 P31751 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ROCK1 Q13464 3/20 0.49

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
SCHEMBL20379406 0.80 RECQL (0.49) CYP2C9CYP2C19
SCHEMBL4642962 0.77 CHRM4 (0.53) ROCK2CYP2C9CYP2C19
SCHEMBL4640871 0.76 CYP2C9 (0.54) ROCK2CYP2C9CYP2C19ROCK1
SCHEMBL3245134 0.76 ROCK2 (0.79) ROCK2
SCHEMBL3244603 0.76 ROCK2 (0.58) ROCK2ROCK1
SCHEMBL3248267 0.75 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL3249722 0.75 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3245013 0.75 ROCK2 (0.80) ROCK2
SCHEMBL8245493 0.75 LMNA (0.64) CYP2C9CYP2C19
SCHEMBL25546132 0.75 TPSAB1 (0.63) CYP2C9CYP2C19

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 ROCK2 727/4885AKT2 91/4885CYP2C9 374/4885

“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.