SCHEMBL21217656

SCHEMBL21217656

Cc1cc(OCC(=O)NC(C)C)ccc1-c1nc(Nc2ccc3[nH]ncc3c2Cl)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 9/20 0.44
▸ ROCK2 O75116 7/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ STK3 Q13188 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41
▸ GRK2 P25098 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ SLC2A3 P11169 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ DRD1 P21728 1/20 0.34

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
SCHEMBL21217642 0.93 ROCK2 (0.42) ROCK1ROCK2L3MBTL1CLK2BLK
SCHEMBL21217638 0.92 ROCK2 (0.42) ROCK1ROCK2L3MBTL1CLK2BLK
SCHEMBL21217655 0.91 ROCK2 (0.41) ROCK1ROCK2L3MBTL1CLK2BLK
SCHEMBL21217652 0.90 ROCK2 (0.40) ROCK1ROCK2L3MBTL1CLK2BLK
SCHEMBL21218013 0.90 ROCK2 (0.47) ROCK1ROCK2L3MBTL1CLK2BLK
SCHEMBL21217920 0.88 ROCK2 (0.43) ROCK1ROCK2L3MBTL1CLK2BLK
SCHEMBL22966932 0.85 ROCK2 (0.58) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL21217967 0.85 ROCK2 (0.36) ROCK1ROCK2CLK2BLKCSNK2A1
SCHEMBL21217651 0.85 ROCK1 (0.43) ROCK1ROCK2L3MBTL1CLK2BLK
SCHEMBL22966706 0.84 ROCK2 (0.37) ROCK1ROCK2CLK2BLKCSNK2A1

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 1/4885L3MBTL1 3385/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ROCK1 2/4885ROCK2 1/4885L3MBTL1 3386/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ROCK1 2/4885ROCK2 1/4885L3MBTL1 3385/4885

“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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