SCHEMBL17040576

SCHEMBL17040576

CC(C)NC(=O)COc1cccc(-c2ncc(C(F)(F)F)c(Nc3ccc4[nH]ncc4c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 18/20 1.00
▸ ROCK1 Q13464 14/20 0.80
▸ CLK2 P49760 1/20 0.72
▸ BLK P51451 1/20 0.72
▸ CSNK2A1 P68400 1/20 0.72
▸ STK3 Q13188 1/20 0.72
▸ DYRK1A Q13627 1/20 0.72
▸ AURKB Q96GD4 1/20 0.72
▸ CLK4 Q9HAZ1 1/20 0.72
▸ STK17A Q9UEE5 1/20 0.72
▸ SLC2A1 P11166 1/20 0.55
▸ SLC2A3 P11169 1/20 0.55

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
SCHEMBL17040581 0.93 ROCK2 (0.87) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL10218675 0.90 ROCK2 (0.82) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL15638917 0.89 ROCK2 (0.85) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL17038102 0.89 ROCK2 (1.00) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL17041187 0.86 ROCK2 (0.75) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL17040955 0.85 ROCK2 (0.78) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL17038108 0.85 ROCK2 (1.00) ROCK2ROCK1CLK2BLKCSNK2A1
Belumosudil SCHEMBL878258 0.84 ROCK2 (0.91) ROCK2ROCK1CLK2BLKCSNK2A1
Trifluoroacetic Acid SCHEMBL29575691 0.84 ROCK2 (0.72) ROCK2ROCK1CLK2BLKCSNK2A1
SCHEMBL17040958 0.84 ROCK2 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116293-A2 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2023-01-11 — — EP disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 — — US disclosed
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 — — EP disclosed
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 — — US disclosed
US-20210147391-A1 RHO KINASE INHIBITORS KADMON CORPORATION LLC 2021-05-20 — — US disclosed
US-10696660-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2020-06-30 — — US disclosed
US-20190308953-A1 RHO KINASE INHIBITORS KADMON CORPORATION LLC 2019-10-10 — — US disclosed
US-10183931-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2019-01-22 — — US disclosed
US-9815820-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2017-11-14 — — US disclosed
US-20170112832-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC 2017-04-27 — — US disclosed
US-20150252025-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2015-09-10 — — US disclosed
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS KADMON CORPORATION, LLC 2015-08-27 — — 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 (9 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-10696660-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 584/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 2335/4885
US-10183931-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 584/4885
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS ROCK2, KDR, FLT1 ROCK2 1/4885ROCK1 5/4885CLK2 1747/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885CLK2 1806/4885
US-20190308953-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 584/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 2335/4885
US-20210147391-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 584/4885
US-20150252025-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885CLK2 584/4885

“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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