SCHEMBL2560085

SCHEMBL2560085

COc1ccc(CNC(=O)Nc2nc(-c3ccncc3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 1.00
ROCK2 O75116 14/20 1.00
MAPT P10636 2/20 0.72
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
KMT2A Q03164 1/20 0.72
MAPK1 P28482 1/20 0.70

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
Hydrochloric Acid SCHEMBL2563075 0.99 ROCK1 (0.98) ROCK1ROCK2MAPTMEN1ALDH1A1
SCHEMBL2554542 0.96 ROCK1 (0.92) ROCK1ROCK2MAPTMEN1ALDH1A1
SCHEMBL2554646 0.90 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2559922 0.89 ROCK1 (0.80) ROCK1ROCK2MAPTMEN1ALDH1A1
SCHEMBL2560266 0.88 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2554031 0.87 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2558208 0.87 ROCK1 (1.00) ROCK1ROCK2
Hydrochloric Acid SCHEMBL2559843 0.86 ROCK1 (0.98) ROCK1ROCK2
SCHEMBL2558006 0.86 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2559800 0.86 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 US disclosed
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-01-30 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-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 (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-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D ROCK1 197/4885ROCK2 400/4885MAPT 212/4885
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D ROCK1 197/4885ROCK2 400/4885MAPT 212/4885
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT ROCK1 1/4885ROCK2 2/4885MAPT 117/4885

“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.