SCHEMBL354374

SCHEMBL354374

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1ccoc1CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.44
ROCK1 Q13464 9/20 0.44
ENPP2 Q13822 3/20 0.40
AURKA O14965 2/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
SRC P12931 2/20 0.37
ATG4B Q9Y4P1 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL19119316 0.89 ROCK2 (0.43) ROCK2ROCK1ENPP2AURKASRC
SCHEMBL353551 0.87 ROCK2 (0.44) ROCK2ROCK1ENPP2AURKASRC
SCHEMBL352905 0.82 ROCK2 (0.47) ROCK2ROCK1SRCATG4B
SCHEMBL19119399 0.81 ROCK2 (0.43) ROCK2ROCK1ENPP2AURKASRC
SCHEMBL354322 0.79 ROCK2 (0.45) ROCK2ROCK1AURKARPS6KB1SRC
SCHEMBL352137 0.79 ROCK2 (0.45) ROCK2ROCK1SRCATG4B
SCHEMBL353532 0.79 ROCK2 (0.54) ROCK2ROCK1ATG4BEPHX2
SCHEMBL353537 0.78 ROCK1 (0.51) ROCK2ROCK1ATG4BEPHX2
SCHEMBL354366 0.78 ROCK2 (0.51) ROCK2ROCK1ATG4B
SCHEMBL354410 0.78 ROCK1 (0.51) 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 3 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-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 4747/4885ENPP2 3369/4885

“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.