SCHEMBL17040532

SCHEMBL17040532

O=C(Nc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 1.00
ROCK1 Q13464 11/20 1.00

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
SCHEMBL30599032 1.00 ROCK2 (1.00) ROCK2ROCK1
Hydrochloric Acid SCHEMBL15639309 0.99 ROCK2 (0.98) ROCK2ROCK1
Hydrochloric Acid SCHEMBL29575526 0.99 ROCK2 (0.98) ROCK2ROCK1
SCHEMBL17038109 0.88 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17040588 0.88 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL15639147 0.85 ROCK2 (0.80) ROCK2ROCK1
SCHEMBL17038112 0.84 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17070954 0.83 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL876826 0.81 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL24709496 0.81 ROCK2 (0.70) ROCK2ROCK1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 WO claimed
WO-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 WO 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
CN-113773308-A RHO kinase inhibitors 卡德门企业有限公司 2021-12-10 CN disclosed
CN-113637007-A RHO kinase inhibitors 卡德门企业有限公司 2021-11-12 CN disclosed
CN-113637008-A RHO kinase inhibitors 卡德门企业有限公司 2021-11-12 CN disclosed
CN-113620933-A RHO kinase inhibitors 卡德门企业有限公司 2021-11-09 CN 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-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 (8 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 2/4885
US-20170112832-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885
US-10183931-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885
US-20150238601-A1 TREATMENT OF OCULAR DISORDERS ROCK2, KDR, FLT1 ROCK2 1/4885ROCK1 5/4885
US-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 ROCK2 1/4885ROCK1 2/4885
US-20190308953-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885
US-20210147391-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA ROCK2 1/4885ROCK1 2/4885

“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.