SCHEMBL8202877

SCHEMBL8202877

CC[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)N[C@H](C)c3cccc(OC)c3)cccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 17/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 9/20 0.41
PRKACA P17612 6/20 0.41
GSK3A P49840 6/20 0.41
GSK3B P49841 6/20 0.41
PRKG1 Q13976 5/20 0.41
PRKX P51817 5/20 0.41
MAPK1 P28482 5/20 0.41
CLK4 Q9HAZ1 5/20 0.41
RPS6KB1 P23443 4/20 0.41
PRKCD Q05655 4/20 0.41
PKN2 Q16513 4/20 0.41
SGK2 Q9HBY8 4/20 0.41
PRKCQ Q04759 3/20 0.41
CDK2 P24941 3/20 0.41
AKT2 P31751 3/20 0.41
PRKG2 Q13237 3/20 0.41
CDC42BPA Q5VT25 3/20 0.41

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
SCHEMBL13035249 0.86 PTGER4 (0.38) CDK2CDK5DYRK1ADYRK3
SCHEMBL13035074 0.84 PTGER4 (0.49)
SCHEMBL13035070 0.84 PTGER4 (0.36)
SCHEMBL8191846 0.82 GUCY1B2 (0.39) MEN1KMT2ACDK2CYP3A4CYP2D6
SCHEMBL8199491 0.80 PTGER4 (0.37) KMT2A
SCHEMBL8194184 0.80 PTGER4 (0.37) KMT2A
SCHEMBL13035259 0.78 MT-CO2 (0.36)
SCHEMBL8192109 0.78 PDPK1 (0.38)
SCHEMBL13035264 0.77 PTGER4 (0.36)
SCHEMBL13035109 0.77 PTGER4 (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 ROCK1 868/4885MEN1 4216/4885KMT2A 2991/4885

“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.