SCHEMBL2559945

SCHEMBL2559945

NC(=O)C(NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 1.00
ROCK2 O75116 17/20 1.00
PARP1 P09874 1/20 0.58

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
SCHEMBL2559941 1.00 ROCK1 (1.00) ROCK1ROCK2PARP1
SCHEMBL2560169 1.00 ROCK1 (1.00) ROCK1ROCK2PARP1
SCHEMBL2554763 0.85 ROCK1 (1.00) ROCK1ROCK2PARP1
SCHEMBL2560272 0.83 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL14738809 0.83 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL2556165 0.83 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL2556231 0.81 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2554712 0.81 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2560280 0.81 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL14738781 0.81 ROCK1 (1.00) ROCK1ROCK2

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 3 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-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 ROCK1 1/4885ROCK2 2/4885PARP1 2695/4885

“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.