SCHEMBL17040533

SCHEMBL17040533

Cc1cnc(-c2cccc(OCC(=O)NC3CC3)c2)nc1Nc1ccc2[nH]ncc2c1

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 13/20 1.00
▸ SLC2A1 P11166 2/20 0.59
▸ SLC2A3 P11169 2/20 0.59
▸ CLK2 P49760 1/20 0.58
▸ BLK P51451 1/20 0.58
▸ CSNK2A1 P68400 1/20 0.58
▸ STK3 Q13188 1/20 0.58
▸ DYRK1A Q13627 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ CLK4 Q9HAZ1 1/20 0.58
▸ STK17A Q9UEE5 1/20 0.58

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
Hydrochloric Acid SCHEMBL15639354 0.99 ROCK2 (0.98) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL17041162 0.97 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL17040534 0.95 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3CLK2
Hydrochloric Acid SCHEMBL15639743 0.95 ROCK2 (0.98) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL17038107 0.90 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL15639228 0.89 ROCK2 (0.80) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL24862350 0.88 ROCK2 (0.79) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL17038102 0.87 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL17038110 0.87 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3CLK2
SCHEMBL17025851 0.86 ROCK2 (0.75) ROCK2ROCK1SLC2A1SLC2A3CLK2

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 2/4885SLC2A1 3819/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC2A1 3869/4885
US-10183931-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC2A1 3819/4885
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS ROCK2, KDR, FLT1 ROCK2 1/4885ROCK1 5/4885SLC2A1 3380/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885SLC2A1 4018/4885
US-20190308953-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC2A1 3819/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC2A1 3869/4885
US-20210147391-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC2A1 3819/4885
US-20150252025-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885SLC2A1 3819/4885

“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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