SCHEMBL21218005

SCHEMBL21218005

COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(CCO)n2)ccc1OCC(=O)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.40
▸ ROCK1 Q13464 12/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ AVPR1B P47901 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
SCHEMBL22966767 0.92 ROCK2 (0.41) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL21217515 0.91 ROCK2 (0.40) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL21217512 0.91 ROCK2 (0.41) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL22966766 0.90 AVPR1B (0.45) ROCK2ROCK1AVPR1B
SCHEMBL22966964 0.89 ROCK1 (0.39) ROCK2ROCK1
SCHEMBL21217684 0.86 SYK (0.38) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL22966764 0.86 ROCK2 (0.39) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL21217922 0.85 SMN1; SMN2 (0.43) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL21217651 0.84 ROCK1 (0.43) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL21217759 0.84 ROCK2 (0.42) ROCK2ROCK1CLK2BLKCSNK2A1

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 8 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
CN-111655681-A Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase 莱德克斯制药公共有限公司 2020-09-11 — — CN 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 ROCK2 1/4885ROCK1 2/4885CLK2 1039/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 980/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 1039/4885

“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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