SCHEMBL354439

SCHEMBL354439

Cc1ccnnc1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 18/20 0.53
ROCK2 O75116 17/20 0.53
EPHX2 P34913 1/20 0.42
ATG4B Q9Y4P1 1/20 0.41
SGK1 O00141 1/20 0.41
AKT1 P31749 1/20 0.41
GSK3B P49841 1/20 0.41
LIMK1 P53667 1/20 0.41
TNK2 Q07912 1/20 0.41
DMPK Q09013 1/20 0.41
MYLK Q15746 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41

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
SCHEMBL352829 0.89 ROCK2 (0.54) ROCK1ROCK2EPHX2ATG4BSGK1
SCHEMBL352824 0.87 ROCK1 (0.54) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL352753 0.87 ROCK2 (0.54) ROCK1ROCK2EPHX2ATG4BSGK1
SCHEMBL19118783 0.86 ROCK1 (0.51) ROCK1ROCK2EPHX2ATG4BSGK1
SCHEMBL352313 0.85 ROCK2 (0.53) ROCK1ROCK2EPHX2ATG4BSGK1
SCHEMBL353576 0.85 ROCK1 (0.57) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL354797 0.85 ROCK1 (0.54) ROCK1ROCK2ATG4BSGK1AKT1
SCHEMBL353015 0.85 ROCK2 (0.52) ROCK1ROCK2EPHX2ATG4BSGK1
SCHEMBL353532 0.85 ROCK2 (0.54) ROCK1ROCK2EPHX2ATG4BSGK1
SCHEMBL352898 0.85 ROCK1 (0.50) ROCK1ROCK2EPHX2ATG4BSGK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK1 4747/4885ROCK2 4626/4885EPHX2 4031/4885

“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.