SCHEMBL2559909

SCHEMBL2559909

O=C(NCc1cccc(F)c1)Nc1nc(-c2ccncc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 20/20 1.00
ROCK2 O75116 18/20 1.00
PRKACA P17612 1/20 0.73
SGK1 O00141 1/20 0.71
AKT1 P31749 1/20 0.71
GSK3B P49841 1/20 0.71
LIMK1 P53667 1/20 0.71
TNK2 Q07912 1/20 0.71
DMPK Q09013 1/20 0.71
MYLK Q15746 1/20 0.71
CDC42BPA Q5VT25 1/20 0.71

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
SCHEMBL2554639 0.90 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2554182 0.89 ROCK1 (0.81) ROCK1ROCK2PRKACA
SCHEMBL29431307 0.88 ROCK1 (1.00) ROCK1ROCK2PRKACASGK1AKT1
SCHEMBL2560201 0.88 ROCK1 (1.00) ROCK1ROCK2PRKACASGK1AKT1
SCHEMBL2555028 0.87 ROCK1 (1.00) ROCK1ROCK2SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL29633094 0.87 ROCK1 (0.98) ROCK1ROCK2PRKACASGK1AKT1
SCHEMBL2554347 0.87 ROCK1 (1.00) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2560469 0.87 ROCK2 (1.00) ROCK1ROCK2SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL17836965 0.87 ROCK1 (0.98) ROCK1ROCK2PRKACASGK1AKT1
SCHEMBL2557279 0.86 ROCK1 (1.00) ROCK1ROCK2PRKACA

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-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
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 ROCK1 1/4885ROCK2 2/4885PRKACA 91/4885

“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.