SCHEMBL354455

SCHEMBL354455

COCCCCn1nc(C)c(C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)c1C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.44
ROCK2 O75116 12/20 0.44
ATG4B Q9Y4P1 1/20 0.36
ADORA2A P29274 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL354561 0.98 ROCK1 (0.44) ROCK1ROCK2ATG4BADORA2AEPHX2
SCHEMBL352153 0.95 ROCK1 (0.46) ROCK1ROCK2ATG4BEPHX2
SCHEMBL353839 0.90 ROCK2 (0.47) ROCK1ROCK2ATG4BEPHX2
SCHEMBL354122 0.87 ROCK2 (0.50) ROCK1ROCK2ATG4BEPHX2
SCHEMBL352918 0.82 ROCK2 (0.49) ROCK1ROCK2ATG4BEPHX2
SCHEMBL354050 0.81 ROCK1 (0.54) ROCK1ROCK2ATG4BEPHX2
SCHEMBL354070 0.81 ROCK1 (0.46) ROCK1ROCK2ATG4B
SCHEMBL353010 0.81 ROCK2 (0.53) ROCK1ROCK2ATG4BEPHX2
SCHEMBL351601 0.81 ROCK2 (0.53) ROCK1ROCK2ATG4BEPHX2
SCHEMBL354425 0.80 ROCK1 (0.54) ROCK1ROCK2ATG4B

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 5 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
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 ROCK1 4747/4885ROCK2 4626/4885ATG4B 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.