SCHEMBL22966757

SCHEMBL22966757

Cc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)[nH]2)ccc1OCC(=O)NC1CCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.54
▸ ROCK1 Q13464 10/20 0.54
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL22967054 0.92 ROCK2 (0.53) ROCK2ROCK1NPC1HPGDSMN1; SMN2
SCHEMBL22966755 0.88 ROCK2 (0.59) ROCK2ROCK1MEN1KMT2A
SCHEMBL21217913 0.87 ROCK2 (0.54) ROCK2ROCK1NPC1
SCHEMBL24610266 0.86 ROCK2 (0.47) ROCK2ROCK1NPC1LMNAHPGD
SCHEMBL21217525 0.86 ROCK2 (0.58) ROCK2ROCK1MEN1KMT2A
SCHEMBL21217523 0.84 ROCK2 (0.58) ROCK2ROCK1NPC1HPGDMEN1
SCHEMBL24094235 0.82 NPC1 (0.44) ROCK2NPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL21198598 0.81 ROCK2 (0.44) ROCK2ROCK1NPC1CDK4CCND1
SCHEMBL21217529 0.80 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL22966914 0.80 ROCK1 (0.52) ROCK2ROCK1NPC1SMN1; SMN2

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-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — US disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885NPC1 1742/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885NPC1 1504/4885

“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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