SCHEMBL4727253

SCHEMBL4727253

COCCOCc1csc(NC(=O)NCc2ccc(Br)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.48
ROCK2 O75116 11/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL4725670 0.91 ROCK2 (0.55) ROCK1ROCK2MEN1KMT2ARAB9A
SCHEMBL4780455 0.90 FPR2 (0.48) ROCK1ROCK2MEN1KMT2ARAB9A
SCHEMBL4780086 0.89 ROCK1 (0.54) ROCK1ROCK2GSK3BATG4B
SCHEMBL4776809 0.87 ROCK1 (0.46) ROCK1ROCK2RAB9AGSK3B
SCHEMBL4726466 0.87 ROCK1 (0.49) ROCK1ROCK2MEN1KMT2ARAB9A
SCHEMBL4778386 0.86 ROCK1 (0.46) ROCK1ROCK2RAB9AGSK3AGSK3B
SCHEMBL4777271 0.86 ROCK1 (0.48) ROCK1ROCK2GSK3AGSK3B
SCHEMBL4726471 0.85 ROCK1 (0.47) ROCK1ROCK2GSK3AGSK3B
SCHEMBL4725491 0.85 ROCK1 (0.47) ROCK1ROCK2GSK3AGSK3B
SCHEMBL4725195 0.85 LMNA (0.44) ROCK1ROCK2MEN1KMT2ARAB9A

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 4405/4885MEN1 2838/4885

“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.