SCHEMBL21217526

SCHEMBL21217526

COc1cc(OCC(=O)NC(C)C)ccc1-c1nnc(Nc2ccc3[nH]ncc3c2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 7/20 0.55
▸ ROCK2 O75116 11/20 0.54
▸ CLK4 Q9HAZ1 2/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ BLK P51451 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ STK3 Q13188 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ STK17A Q9UEE5 1/20 0.51
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAOB P27338 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ EGFR P00533 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42

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
SCHEMBL22966748 0.90 ROCK2 (0.58) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL22966730 0.89 ROCK1 (0.56) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL21217821 0.87 ROCK1 (0.60) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL24094140 0.85 NPC1 (0.50) ROCK1ROCK2CLK4MEN1KMT2A
SCHEMBL21217622 0.85 ROCK2 (0.53) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL22967018 0.84 ROCK1 (0.71) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL22967185 0.81 ROCK2 (0.54) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL21217913 0.80 ROCK2 (0.54) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL22966750 0.80 ROCK1 (0.54) ROCK1ROCK2CLK4CLK2BLK
SCHEMBL22966914 0.80 ROCK1 (0.52) ROCK1ROCK2CLK4CLK2BLK

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 7 patents. 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
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — US disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 — — WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 — — WO 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 (3 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 ROCK1 2/4885ROCK2 1/4885CLK4 2468/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ROCK1 2/4885ROCK2 1/4885CLK4 2197/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ROCK1 2/4885ROCK2 1/4885CLK4 2468/4885

“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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