SCHEMBL4776809

SCHEMBL4776809

COCCOCc1csc(NC(=O)NCc2ccc(Cl)c(Br)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.46
ROCK2 O75116 14/20 0.46
MAPK1 P28482 1/20 0.40
SGK1 O00141 1/20 0.39
AKT1 P31749 1/20 0.39
GSK3B P49841 1/20 0.39
LIMK1 P53667 1/20 0.39
TNK2 Q07912 1/20 0.39
DMPK Q09013 1/20 0.39
MYLK Q15746 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL4777271 0.92 ROCK1 (0.48) ROCK1ROCK2MAPK1AKT1GSK3B
SCHEMBL4725491 0.91 ROCK1 (0.47) ROCK1ROCK2MAPK1AKT1GSK3B
SCHEMBL4726471 0.91 ROCK1 (0.47) ROCK1ROCK2MAPK1AKT1GSK3B
SCHEMBL4726382 0.89 ROCK1 (0.46) ROCK1ROCK2MAPK1RAB9A
SCHEMBL4727253 0.87 ROCK1 (0.48) ROCK1ROCK2GSK3BRAB9A
SCHEMBL4725532 0.87 MEN1 (0.46) ROCK1ROCK2MAPK1RAB9A
SCHEMBL4777375 0.86 TRPV1 (0.46) ROCK1ROCK2
SCHEMBL4780457 0.86 ROCK1 (0.45) ROCK1ROCK2MAPK1AKT1GSK3B
SCHEMBL4780086 0.85 ROCK1 (0.54) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL4779953 0.85 ROCK1 (0.58) ROCK1ROCK2SGK1AKT1GSK3B

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 ROCK1 4331/4885ROCK2 4405/4885MAPK1 3644/4885

“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.