SCHEMBL2552040

SCHEMBL2552040

O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2cccnc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 1.00
ROCK2 O75116 4/20 0.80
FAAH O00519 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
LMNA P02545 3/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
PARP1 P09874 1/20 0.48
MAPT P10636 1/20 0.48
CLK1 P49759 1/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL2560351 0.89 ROCK1 (1.00) ROCK1ROCK2FAAHTRPV1LMNA
SCHEMBL9370276 0.82 ROCK1 (0.70) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL9371842 0.81 ROCK1 (0.69) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL14749465 0.81 ROCK1 (0.79) ROCK1ROCK2FAAHTRPV1LMNA
SCHEMBL2581551 0.80 ROCK1 (1.00) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL9375127 0.78 ROCK1 (0.64) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL9376900 0.77 ROCK1 (0.71) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL9370731 0.77 ROCK1 (0.71) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL12282492 0.76 ROCK1 (0.69) ROCK1ROCK2FAAHLMNACNR2
SCHEMBL2551798 0.76 ROCK1 (1.00) ROCK1ROCK2FAAHLMNAALDH1A1

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.