SCHEMBL354094

SCHEMBL354094

Cc1cc(C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)c2c(C)noc2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.47
ROCK2 O75116 12/20 0.47
SLC26A6 Q9BXS9 1/20 0.44
ATG4B Q9Y4P1 1/20 0.40
SCD5 Q86SK9 1/20 0.38
EPHX2 P34913 1/20 0.37
CHRM4 P08173 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SGK1 O00141 1/20 0.36
AKT1 P31749 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
TNK2 Q07912 1/20 0.36
DMPK Q09013 1/20 0.36
MYLK Q15746 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36

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
SCHEMBL353730 0.88 SLC26A6 (0.44) ROCK1ROCK2SLC26A6ATG4BSCD5
SCHEMBL353537 0.85 ROCK1 (0.51) ROCK1ROCK2ATG4BSCD5EPHX2
SCHEMBL355123 0.84 ROCK2 (0.51) ROCK1ROCK2ATG4BSCD5EPHX2
SCHEMBL349810 0.84 ROCK2 (0.51) ROCK1ROCK2ATG4BSCD5EPHX2
SCHEMBL353102 0.84 ROCK2 (0.46) ROCK1ROCK2ATG4BEPHX2CHRM4
SCHEMBL354091 0.84 MEN1 (0.35) ROCK1ROCK2MEN1KMT2A
SCHEMBL353338 0.83 ROCK2 (0.51) ROCK1ROCK2ATG4BEPHX2
SCHEMBL353559 0.83 ROCK2 (0.52) ROCK1ROCK2ATG4BSCD5EPHX2
SCHEMBL353532 0.82 ROCK2 (0.54) ROCK1ROCK2ATG4BEPHX2KMT2A
SCHEMBL353772 0.82 ROCK2 (0.54) ROCK1ROCK2ATG4BEPHX2SGK1

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
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
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ROCK1 4747/4885ROCK2 4626/4885SLC26A6 2142/4885

“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.