SCHEMBL27338759

SCHEMBL27338759

CC(C)NC(=O)COc1ccc(-c2nnc(Nc3cc(C=N)c(N)cn3)[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ROCK2 O75116 3/20 0.34
▸ PRF1 P14222 1/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PFKFB3 Q16875 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL21217607 0.79 ROCK2 (0.49) ROCK2ROCK1L3MBTL1
SCHEMBL24610300 0.79 JAK2 (0.34) SMN1; SMN2ROCK1HDAC3HDAC4HDAC1
SCHEMBL24094174 0.78 ROCK1 (0.46) SMN1; SMN2ROCK2ROCK1LMNAL3MBTL1
SCHEMBL21217738 0.75 SMN1; SMN2 (0.47) SMN1; SMN2PRF1LMNAL3MBTL1ALDH1A1
SCHEMBL24094185 0.75 ROCK1 (0.33) SMN1; SMN2ROCK2ROCK1
SCHEMBL22967056 0.73 ADORA2A (0.39) SMN1; SMN2ROCK2ROCK1LMNAL3MBTL1
SCHEMBL22967060 0.73 ADORA2A (0.41) SMN1; SMN2LMNAL3MBTL1ALDH1A1POLB
SCHEMBL22967237 0.73 CYP1A2 (0.43) SMN1; SMN2ROCK2ALDH1A1KDM4EMAPT
SCHEMBL21217821 0.73 ROCK1 (0.60) ROCK2ROCK1L3MBTL1
SCHEMBL21198526 0.72 RXRA (0.41) ROCK2PRF1ROCK1ALDH1A1GAA

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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — 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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA SMN1; SMN2 3144/4885ROCK2 1/4885PRF1 3983/4885

“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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