SCHEMBL660022

SCHEMBL660022

c1cc(N[C@@H]2CCCNC2)c2ccncc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 15/20 1.00
PRKD2 Q9BZL6 10/20 0.68
ROCK2 O75116 4/20 0.64
ROCK1 Q13464 3/20 0.64
CSNK2A1 P68400 1/20 0.53
HIPK2 Q9H2X6 1/20 0.53

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
SCHEMBL661175 1.00 PRKCZ (1.00) PRKCZPRKD2ROCK2ROCK1CSNK2A1
SCHEMBL528390 1.00 PRKCZ (1.00) PRKCZPRKD2ROCK2ROCK1CSNK2A1
Hydrochloric Acid SCHEMBL5662171 0.99 PRKCZ (0.97) PRKCZPRKD2ROCK2ROCK1CSNK2A1
SCHEMBL435269 0.92 PRKCZ (0.85) PRKCZPRKD2ROCK2ROCK1
SCHEMBL528095 0.92 PRKCZ (0.85) PRKCZPRKD2ROCK2ROCK1
SCHEMBL435270 0.92 PRKCZ (0.85) PRKCZPRKD2ROCK2ROCK1
Bicarbonate SCHEMBL2112761 0.86 PRKCZ (0.76) PRKCZPRKD2ROCK2ROCK1CSNK2A1
Bicarbonate SCHEMBL27827793 0.86 PRKCZ (0.76) PRKCZPRKD2ROCK2ROCK1CSNK2A1
SCHEMBL5664354 0.84 ROCK2 (0.74) PRKCZROCK2ROCK1
Hydrochloric Acid SCHEMBL29862866 0.83 ROCK2 (0.72) PRKCZROCK2ROCK1

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-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-8604218-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
CN-101583361-B Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC 2013-01-23 CN disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 US disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
CN-101583361-A Cytoskeletal Active RHO Kinase Inhibitor Compounds, Compositions and Uses INSPIRE PHARMACEUTICALS INC (US) 2009-11-18 CN disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 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 (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-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 PRKCZ 192/4885PRKD2 173/4885ROCK2 3/4885
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 PRKCZ 192/4885PRKD2 173/4885ROCK2 3/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 PRKCZ 192/4885PRKD2 173/4885ROCK2 3/4885

“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.