SCHEMBL435269

SCHEMBL435269

c1cc(N[C@@H]2CCNC2)c2ccncc2c1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 12/20 0.85
ROCK2 O75116 8/20 0.67
ROCK1 Q13464 7/20 0.67
PRKD2 Q9BZL6 9/20 0.58
CCR2 P41597 1/20 0.51

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
SCHEMBL528095 1.00 PRKCZ (0.85) PRKCZROCK2ROCK1PRKD2CCR2
SCHEMBL435270 1.00 PRKCZ (0.85) PRKCZROCK2ROCK1PRKD2CCR2
Bicarbonate SCHEMBL27827793 0.94 PRKCZ (0.76) PRKCZROCK2ROCK1PRKD2
Bicarbonate SCHEMBL2112761 0.94 PRKCZ (0.76) PRKCZROCK2ROCK1PRKD2
SCHEMBL661175 0.92 PRKCZ (1.00) PRKCZROCK2ROCK1PRKD2
SCHEMBL660022 0.92 PRKCZ (1.00) PRKCZROCK2ROCK1PRKD2
SCHEMBL528390 0.92 PRKCZ (1.00) PRKCZROCK2ROCK1PRKD2
SCHEMBL5664354 0.92 ROCK2 (0.74) PRKCZROCK2ROCK1CCR2
Hydrochloric Acid SCHEMBL5662171 0.91 PRKCZ (0.97) PRKCZROCK2ROCK1PRKD2
Hydrochloric Acid SCHEMBL5662581 0.90 ROCK2 (0.72) PRKCZROCK2ROCK1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102065689-A RHO-kinase inhibitor compounds INSPIRE PHARMACEUTICALS INC 2011-05-18 CN claimed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US claimed
US-8604218-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
CN-103249305-A Method for treating ophthalmic diseases using kinase inhibitor compounds in prodrug forms INSPIRE PHARMACEUTICALS INC 2013-08-14 CN disclosed
EP-2597953-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS Inspire Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
EP-2595665-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
CN-102065689-A RHO-kinase inhibitor compounds INSPIRE PHARMACEUTICALS INC 2011-05-18 CN disclosed
EP-2291077-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS Inspire Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. 2010-01-28 US disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
WO-2009154940-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 WO 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 (4 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-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS ROCK1, ROCK2, CIT PRKCZ 378/4885ROCK2 2/4885ROCK1 1/4885
US-20100022775-A1 PROCESS FOR THE PREPARATION OF RHO-KINASE INHIBITOR COMPOUNDS ROCK1, ROCK2, RHOA PRKCZ 113/4885ROCK2 2/4885ROCK1 1/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 PRKCZ 192/4885ROCK2 3/4885ROCK1 1/4885
US-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK2, ROCK1, RHOA PRKCZ 171/4885ROCK2 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.