SCHEMBL353533

SCHEMBL353533

Cc1nc(N)ncc1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.50
ROCK1 Q13464 15/20 0.50
ATG4B Q9Y4P1 1/20 0.44
MAPK1 P28482 2/20 0.43
EPHX2 P34913 1/20 0.39
SGK1 O00141 1/20 0.38
AKT1 P31749 1/20 0.38
GSK3B P49841 1/20 0.38
LIMK1 P53667 1/20 0.38
TNK2 Q07912 1/20 0.38
DMPK Q09013 1/20 0.38
MYLK Q15746 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL352931 0.93 ROCK2 (0.51) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL353450 0.90 ROCK2 (0.48) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL353675 0.89 ROCK2 (0.49) ROCK2ROCK1ATG4BMAPK1SGK1
SCHEMBL352518 0.89 ROCK2 (0.52) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL351601 0.88 ROCK2 (0.53) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL353772 0.87 ROCK2 (0.54) ROCK2ROCK1ATG4BEPHX2SGK1
SCHEMBL352294 0.86 ROCK2 (0.51) ROCK2ROCK1ATG4BMAPK1SGK1
SCHEMBL353241 0.86 ROCK1 (0.53) ROCK2ROCK1SGK1AKT1GSK3B
SCHEMBL353015 0.86 ROCK2 (0.52) ROCK2ROCK1ATG4BMAPK1EPHX2
SCHEMBL353532 0.86 ROCK2 (0.54) ROCK2ROCK1ATG4BEPHX2SGK1

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
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-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

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 4747/4885ATG4B 761/4885

“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.