SCHEMBL12411786

SCHEMBL12411786

CC(C)(O)CNc1cc(Cl)ncc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.41
IRAK4 Q9NWZ3 6/20 0.41
MAPK8 P45983 6/20 0.39
JAK3 P52333 4/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
HSP90AA1 P07900 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
SLC2A1 P11166 1/20 0.36

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
SCHEMBL30664056 0.82 MKNK1 (0.48) NNMTIRAK4JAK3JAK2JAK1
SCHEMBL29127194 0.82 MKNK1 (0.48) NNMTIRAK4JAK3JAK2JAK1
SCHEMBL2479053 0.78 KDM4E (0.51) IRAK4MAPK8JAK3JAK2JAK1
SCHEMBL21596321 0.78 NNMT (0.41) NNMTIRAK4JAK3JAK2JAK1
SCHEMBL30379577 0.78 NNMT (0.41) NNMTIRAK4JAK3JAK2JAK1
SCHEMBL2479527 0.78 JAK3 (0.53) IRAK4MAPK8JAK3JAK2JAK1
SCHEMBL12281913 0.77 NNMT (0.57) NNMTIRAK4JAK3JAK2JAK1
SCHEMBL30678683 0.77 NNMT (0.57) NNMTIRAK4JAK3JAK2JAK1
SCHEMBL12456545 0.77 JAK3 (0.52) IRAK4JAK3JAK2JAK1TYK2
SCHEMBL18345047 0.77 IRAK4 (0.34) IRAK4MAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 NNMT 2289/4885IRAK4 3961/4885MAPK8 2859/4885

“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.