SCHEMBL353102

SCHEMBL353102

Cc1cc(C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)c2c(C)nn(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.46
ROCK1 Q13464 7/20 0.46
MAPT P10636 6/20 0.45
ATG4B Q9Y4P1 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.36
CHRM4 P08173 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
SCHEMBL354122 0.85 ROCK2 (0.50) ROCK2ROCK1ATG4BAURKAAURKB
SCHEMBL354094 0.84 ROCK1 (0.47) ROCK2ROCK1ATG4BAURKAAURKB
SCHEMBL353920 0.84 ROCK2 (0.51) ROCK2ROCK1ATG4BAURKAAURKB
SCHEMBL354749 0.84 KDM4E (0.40) ROCK1MAPTLMNA
SCHEMBL352918 0.83 ROCK2 (0.49) ROCK2ROCK1ATG4BAURKAAURKB
SCHEMBL353801 0.83 ROCK2 (0.50) ROCK2ROCK1ATG4BAURKAAURKB
SCHEMBL352719 0.83 KDM4E (0.47) ROCK2ROCK1MAPTATG4BEPHX2
SCHEMBL354612 0.82 ROCK2 (0.47) ROCK2ROCK1ATG4BEPHX2
SCHEMBL353015 0.82 ROCK2 (0.52) ROCK2ROCK1ATG4BEPHX2
SCHEMBL353532 0.82 ROCK2 (0.54) ROCK2ROCK1ATG4BEPHX2

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 10 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
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
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 ROCK2 4626/4885ROCK1 4747/4885MAPT 2275/4885

“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.