SCHEMBL4725688

SCHEMBL4725688

Cc1ccccc1N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.56
ROCK1 Q13464 15/20 0.56
EPHX2 P34913 1/20 0.46
ATG4B Q9Y4P1 1/20 0.45
SGK1 O00141 1/20 0.42
AKT1 P31749 1/20 0.42
GSK3B P49841 1/20 0.42
LIMK1 P53667 1/20 0.42
TNK2 Q07912 1/20 0.42
DMPK Q09013 1/20 0.42
MYLK Q15746 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
NAMPT P43490 2/20 0.42

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
SCHEMBL352121 0.87 ROCK1 (0.60) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL353532 0.86 ROCK2 (0.54) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL4726415 0.85 ROCK2 (0.57) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL884018 0.85 ROCK2 (0.49) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL4726037 0.85 ROCK2 (0.56) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL353683 0.84 ROCK1 (0.59) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL353015 0.83 ROCK2 (0.52) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL354196 0.83 ROCK2 (0.52) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL19118705 0.83 ROCK1 (0.58) ROCK2ROCK1EPHX2ATG4BSGK1
SCHEMBL352015 0.83 ROCK2 (0.58) ROCK2ROCK1EPHX2ATG4BSGK1

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
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US claimed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US claimed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO claimed
US-8716320-B2 Antibacteriall heterocyclic ureas REPLIDYNE, INC. (US) 2014-05-06 US disclosed
US-20080207703-A1 Antibacterial heterocyclic ureas REPLIDYNE, INC. (US) 2008-08-28 US disclosed
WO-2008011191-A1 ANTIBACTERIAL HETEROCYCLIC UREAS REPLIDYNE, INC. (US) 2008-01-24 WO 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-20080207703-A1 Antibacterial heterocyclic ureas UMPS, UROD, UGP2 ROCK2 4405/4885ROCK1 4331/4885EPHX2 2726/4885

“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.