SCHEMBL2581551

SCHEMBL2581551

O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccncn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 12/20 1.00
ROCK2 O75116 4/20 0.74
FAAH O00519 1/20 0.54
LMNA P02545 1/20 0.52
CNR2 P34972 1/20 0.47
PARP1 P09874 1/20 0.46
WNT3A P56704 1/20 0.46
ELOVL1 Q9BW60 1/20 0.45
PRKACA P17612 1/20 0.45
NPY5R Q15761 1/20 0.45

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
SCHEMBL14749465 0.88 ROCK1 (0.79) ROCK1ROCK2FAAHLMNAPARP1
SCHEMBL2560351 0.85 ROCK1 (1.00) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL6319278 0.83 ROCK1 (0.70) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL2552040 0.80 ROCK1 (1.00) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL12282492 0.77 ROCK1 (0.69) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL2551798 0.74 ROCK1 (1.00) ROCK1ROCK2FAAHLMNAPRKACA
SCHEMBL9371762 0.74 FAAH (0.62) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL3777077 0.74 FAAH (0.69) ROCK1ROCK2FAAHLMNA
SCHEMBL9375127 0.73 ROCK1 (0.64) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL2586803 0.72 ROCK1 (1.00) ROCK1ROCK2PARP1PRKACA

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 2/4885FAAH 3926/4885

“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.