SCHEMBL17946426

SCHEMBL17946426

C[C@@H](N)C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 1.00
ROCK1 Q13464 11/20 1.00
PRKD3 O94806 5/20 0.62
PRKCG P05129 5/20 0.62
PRKCB P05771 5/20 0.62
PRKCA P17252 5/20 0.62
PRKCH P24723 5/20 0.62
PRKCI P41743 5/20 0.62
PRKCE Q02156 5/20 0.62
PRKCQ Q04759 5/20 0.62
PRKCZ Q05513 5/20 0.62
PRKCD Q05655 5/20 0.62
PRKD1 Q15139 5/20 0.62
CYP3A4 P08684 4/20 0.62
PRKACA P17612 4/20 0.62
PRKACG P22612 4/20 0.62
PRKACB P22694 4/20 0.62
ADORA3 P0DMS8 2/20 0.62
CYP2C19 P33261 2/20 0.62
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL20644189 1.00 ROCK2 (1.00) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL190414 1.00 ROCK2 (1.00) ROCK2ROCK1PRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL29377359 0.99 ROCK2 (0.98) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL19543804 0.91 ROCK2 (0.83) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL13716157 0.87 ROCK2 (1.00) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL19543799 0.87 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL13716079 0.87 ROCK2 (0.77) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL13715989 0.85 ROCK2 (0.78) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL13716058 0.85 ROCK2 (0.78) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4729640 0.84 ROCK2 (0.74) ROCK2ROCK1PRKD3PRKCGPRKCB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399311-A1 POLYMORPHS OF SUBSTITUTED ISOQUINOLINE-BASED RHO KINASE INHIBITORS BioAxone BioSciences, Inc. (US) 2023-12-14 US disclosed
US-20230399311-A1 POLYMORPHS OF SUBSTITUTED ISOQUINOLINE-BASED RHO KINASE INHIBITORS BioAxone BioSciences, Inc. (US) 2023-12-14 US disclosed
US-20230399311-A1 POLYMORPHS OF SUBSTITUTED ISOQUINOLINE-BASED RHO KINASE INHIBITORS BioAxone BioSciences, Inc. (US) 2023-12-14 US disclosed
US-20230399311-A1 POLYMORPHS OF SUBSTITUTED ISOQUINOLINE-BASED RHO KINASE INHIBITORS BioAxone BioSciences, Inc. (US) 2023-12-14 US disclosed
WO-2023240251-A1 POLYMORPHS OF SUBSTITUTED ISOQUINOLINE-BASED RHO KINASE INHIBITORS BioAxone BioSciences, Inc. (US) 2023-12-14 WO disclosed
US-11814361-B2 Rho kinase inhibitor BA-1049 (R) and active metabolites thereof BioAxone BioSciences, Inc. (US) 2023-11-14 US disclosed
US-11814361-B2 Rho kinase inhibitor BA-1049 (R) and active metabolites thereof BioAxone BioSciences, Inc. (US) 2023-11-14 US disclosed
US-11701366-B2 Treatment of cerebral cavernous malformations and cerebral aneurysms with rho kinase inhibitors BioAxone BioSciences, Inc. (US) 2023-07-18 US disclosed
US-11701366-B2 Treatment of cerebral cavernous malformations and cerebral aneurysms with rho kinase inhibitors BioAxone BioSciences, Inc. (US) 2023-07-18 US disclosed
US-20220089567-A1 RHO KINASE INHIBITOR BA-1049 (R) AND ACTIVE METABOLITES THEREOF BioAxone BioSciences, Inc. (US) 2022-03-24 US disclosed
WO-2019014322-A1 KINASE INHIBITORS FOR TREATMENT OF DISEASE BioAxone BioSciences, Inc. (US) 2019-01-17 WO disclosed
US-20190015404-A1 KINASE INHIBITORS FOR TREATMENT OF DISEASE AEGIS THERAPEUTICS, LLC 2019-01-17 US disclosed
US-20170313680-A1 RHO KINASE INHIBITOR BA-1049 (R) AND ACTIVE METABOLITES THEREOF AEGIS THERAPEUTICS, LLC 2017-11-02 US disclosed
US-20170313680-A1 RHO KINASE INHIBITOR BA-1049 (R) AND ACTIVE METABOLITES THEREOF AEGIS THERAPEUTICS, LLC 2017-11-02 US disclosed
US-20170246181-A1 TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS AND CEREBRAL ANEURYSMS WITH RHO KINASE INHIBITORS AEGIS THERAPEUTICS, LLC 2017-08-31 US disclosed
US-20170246181-A1 TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS AND CEREBRAL ANEURYSMS WITH RHO KINASE INHIBITORS AEGIS THERAPEUTICS, LLC 2017-08-31 US disclosed
US-9687483-B2 Treatment of cerebral cavernous malformations and cerebral aneurysms with Rho kinase inhibitors BioAxone BioSciences, Inc. (US) 2017-06-27 US disclosed
US-9687483-B2 Treatment of cerebral cavernous malformations and cerebral aneurysms with Rho kinase inhibitors BioAxone BioSciences, Inc. (US) 2017-06-27 US disclosed
US-20160213664-A1 TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS AND CEREBRAL ANEURYSMS WITH RHO KINASE INHIBITORS AEGIS THERAPEUTICS, LLC 2016-07-28 US disclosed
US-20160213664-A1 TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS AND CEREBRAL ANEURYSMS WITH RHO KINASE INHIBITORS AEGIS THERAPEUTICS, LLC 2016-07-28 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-20220089567-A1 RHO KINASE INHIBITOR BA-1049 (R) AND ACTIVE METABOLITES THEREOF RHOA, ARHGDIA, ROCK1 ROCK2 4/4885ROCK1 3/4885PRKD3 423/4885
US-20170246181-A1 TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS AND CEREBRAL ANEURYSMS WITH RHO KINASE INHIBITORS ROCK2, ROCK1, CIT ROCK2 1/4885ROCK1 2/4885PRKD3 297/4885
US-20230399311-A1 POLYMORPHS OF SUBSTITUTED ISOQUINOLINE-BASED RHO KINASE INHIBITORS ROCK1, ROCK2, RAC1 ROCK2 2/4885ROCK1 1/4885PRKD3 152/4885
US-20160213664-A1 TREATMENT OF CEREBRAL CAVERNOUS MALFORMATIONS AND CEREBRAL ANEURYSMS WITH RHO KINASE INHIBITORS ROCK2, ROCK1, CIT ROCK2 1/4885ROCK1 2/4885PRKD3 297/4885
US-11701366-B2 Treatment of cerebral cavernous malformations and cerebral aneurysms with rho kinase inhibitors ROCK2, ROCK1, CIT ROCK2 1/4885ROCK1 2/4885PRKD3 297/4885
US-20190015404-A1 KINASE INHIBITORS FOR TREATMENT OF DISEASE PRKG2, PTGIS, PRKG1 ROCK2 71/4885ROCK1 84/4885PRKD3 145/4885
US-11814361-B2 Rho kinase inhibitor BA-1049 (R) and active metabolites thereof RHOA, ARHGDIA, ROCK1 ROCK2 4/4885ROCK1 3/4885PRKD3 423/4885
US-20170313680-A1 RHO KINASE INHIBITOR BA-1049 (R) AND ACTIVE METABOLITES THEREOF ARHGDIA, RHOA, ARHGDIB ROCK2 9/4885ROCK1 4/4885PRKD3 213/4885

“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.