SCHEMBL354604

SCHEMBL354604

Cc1nn(C)c(C)c1C(=O)N(C)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ROCK1 Q13464 1/20 0.42
EPHX2 P34913 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
SCD O00767 2/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
NAMPT P43490 2/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
LCK P06239 1/20 0.36
OPRM1 P35372 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
SCHEMBL354122 0.87 ROCK2 (0.50) ROCK2ATG4BROCK1EPHX2AURKA
SCHEMBL19119441 0.87 ROCK2 (0.41) ROCK2ATG4BROCK1EPHX2AURKA
SCHEMBL352803 0.85 ROCK2 (0.44) ROCK2ATG4BROCK1EPHX2AURKA
SCHEMBL351840 0.85 ROCK2 (0.43) ROCK2ATG4BROCK1EPHX2AURKA
SCHEMBL353487 0.84 ATG4B (0.44) ROCK2ATG4BROCK1EPHX2SCD
SCHEMBL353081 0.83 ROCK2 (0.50) ROCK2ATG4BROCK1EPHX2AURKA
SCHEMBL885400 0.81 ROCK2 (0.44) ROCK2ATG4BROCK1EPHX2CLK1
SCHEMBL352918 0.79 ROCK2 (0.49) ROCK2ATG4BROCK1EPHX2AURKA
SCHEMBL352386 0.78 ROCK2 (0.49) ROCK2ATG4BROCK1EPHX2CLK1
SCHEMBL353839 0.78 ROCK2 (0.47) ROCK2ATG4BROCK1EPHX2

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 4626/4885ATG4B 761/4885ROCK1 4747/4885

“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.