SCHEMBL4726415

SCHEMBL4726415

CN(Cc1csc(NC(=O)NCc2cccc(F)c2)n1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.57
ROCK1 Q13464 18/20 0.57
KMT2A Q03164 1/20 0.47
ATG4B Q9Y4P1 1/20 0.46
SGK1 O00141 1/20 0.43
AKT1 P31749 1/20 0.43
GSK3B P49841 1/20 0.43
LIMK1 P53667 1/20 0.43
TNK2 Q07912 1/20 0.43
DMPK Q09013 1/20 0.43
MYLK Q15746 1/20 0.43
CDC42BPA Q5VT25 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
SCHEMBL4725688 0.85 ROCK2 (0.56) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL4726037 0.85 ROCK2 (0.56) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL354685 0.84 ROCK2 (0.54) ROCK2ROCK1KMT2AATG4BSGK1
SCHEMBL352121 0.83 ROCK1 (0.60) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353683 0.82 ROCK1 (0.59) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL19118705 0.81 ROCK1 (0.58) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL352015 0.81 ROCK2 (0.58) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL353772 0.81 ROCK2 (0.54) ROCK2ROCK1ATG4BSGK1AKT1
SCHEMBL352829 0.81 ROCK2 (0.54) ROCK2ROCK1KMT2AATG4BSGK1
SCHEMBL352167 0.81 ROCK2 (0.57) ROCK2ROCK1ATG4BSGK1AKT1

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 4331/4885KMT2A 3349/4885

“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.