SCHEMBL352137

SCHEMBL352137

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1cc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
PIK3CB P42338 4/20 0.43
SRC P12931 1/20 0.40
NAPEPLD Q6IQ20 9/20 0.40
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
AKT1 P31749 1/20 0.38
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
AOC3 Q16853 1/20 0.37
ATG4B Q9Y4P1 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
SCHEMBL19119313 0.88 ROCK2 (0.43) ROCK2ROCK1PIK3CBSRCNAPEPLD
SCHEMBL354322 0.86 ROCK2 (0.45) ROCK2ROCK1SRCSCDSCD5
SCHEMBL352905 0.83 ROCK2 (0.47) ROCK2ROCK1SRCATG4B
SCHEMBL354374 0.79 ROCK2 (0.44) ROCK2ROCK1SRCATG4B
SCHEMBL353559 0.79 ROCK2 (0.52) ROCK2ROCK1AKT1SCD5ATG4B
SCHEMBL353551 0.79 ROCK2 (0.44) ROCK2ROCK1SRCATG4B
SCHEMBL353119 0.79 NAMPT (0.49) ROCK2ROCK1SRCAKT1ATG4B
SCHEMBL354366 0.79 ROCK2 (0.51) ROCK2ROCK1AKT1ATG4B
SCHEMBL352897 0.79 ROCK1 (0.51) ROCK2ROCK1AKT1ATG4B
SCHEMBL353812 0.79 ROCK2 (0.51) ROCK2ROCK1AKT1SCD5ATG4B

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 4 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
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 4747/4885PIK3CB 2018/4885

“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.