SCHEMBL24736086

SCHEMBL24736086

CN(C)Cc1c(CC(=O)Nc2ccc3cnccc3c2)cccc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.50
▸ NOTUM Q6P988 4/20 0.50
▸ PRMT3 O60678 5/20 0.47
▸ IMPDH2 P12268 5/20 0.47
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL24736556 0.85 NOTUM (0.56) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24735946 0.85 NOTUM (0.53) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24735966 0.83 ROCK2 (0.51) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24736552 0.82 ROCK2 (0.52) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24735950 0.78 NOTUM (0.55) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24735985 0.78 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL24736063 0.75 IMPDH2 (0.54) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24736128 0.74 NOTUM (0.54) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24736084 0.73 ROCK1 (0.61) ROCK2NOTUMPRMT3IMPDH2ROCK1
SCHEMBL24735962 0.72 IMPDH2 (0.69) ROCK2NOTUMPRMT3IMPDH2ROCK1

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-20220389035-A1 BORON-CONTAINING RHO KINASE INHIBITORS PERCIPIAD, INC. 2022-12-08 — — 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-20220389035-A1 BORON-CONTAINING RHO KINASE INHIBITORS ROCK1, ROCK2, RHOT2 ROCK2 2/4885NOTUM 4314/4885PRMT3 1221/4885

“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.

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