SCHEMBL2560368

SCHEMBL2560368

CNc1cccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 1.00
ROCK1 Q13464 20/20 1.00
SGK1 O00141 1/20 0.72
AKT1 P31749 1/20 0.72
GSK3B P49841 1/20 0.72
LIMK1 P53667 1/20 0.72
TNK2 Q07912 1/20 0.72
DMPK Q09013 1/20 0.72
MYLK Q15746 1/20 0.72
CDC42BPA Q5VT25 1/20 0.72

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
SCHEMBL14749459 0.91 ROCK1 (1.00) ROCK2ROCK1SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL2575199 0.90 ROCK1 (0.98) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL14749461 0.89 ROCK1 (1.00) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL14749458 0.88 ROCK1 (1.00) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL2560469 0.87 ROCK2 (1.00) ROCK2ROCK1SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL2576591 0.87 ROCK1 (0.98) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL29431307 0.86 ROCK1 (1.00) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL2560201 0.86 ROCK1 (1.00) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL2554347 0.85 ROCK1 (1.00) ROCK2ROCK1SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL17836965 0.85 ROCK1 (0.98) ROCK2ROCK1SGK1AKT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
WO-2011130740-A2 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2011-10-20 WO 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 (1 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-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK2 2/4885ROCK1 1/4885SGK1 633/4885

“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.