SCHEMBL1760405

SCHEMBL1760405

CNc1n[nH]c2ccc(COc3ccc(-c4cc(F)c(F)cc4F)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.42
GYS1 P13807 8/20 0.42
NTRK1 P04629 4/20 0.40
PTGES O14684 2/20 0.37
MAP2K4 P45985 1/20 0.37
FFAR1 O14842 1/20 0.37
PLK4 O00444 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
FLT4 P35916 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.37

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
SCHEMBL1760616 0.75 GYS1 (0.49) GYS1
SCHEMBL26393616 0.74 HDAC1 (0.52) GSK3BMAP2K4PLK4MAPK13DAPK3
SCHEMBL12064447 0.70 NTRK1 (0.47) GSK3BNTRK1CDK2
SCHEMBL26394395 0.70 MAP2K4 (0.55) GSK3BNTRK1MAP2K4PLK4MAPK13
SCHEMBL26399495 0.69 TTK (0.59) MAPK8
SCHEMBL12595388 0.69 GYS1 (0.44) GYS1FFAR1MAOAMAOB
SCHEMBL1759568 0.69 GYS1 (0.49) GYS1
SCHEMBL26399314 0.69 TTK (0.43) GSK3BNTRK1MAP2K4MAPK8
SCHEMBL26393692 0.68 GSK3B (0.41) GSK3BPLK4MAPK13DAPK3PRKD3
SCHEMBL1759474 0.68 GYS1 (0.44) GYS1FFAR1MAOAMAOB

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-7947728-B1 Indole and indazole analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US claimed
WO-2011057959-A1 INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO claimed
US-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US claimed
US-7947728-B1 Indole and indazole analogs as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
WO-2011057959-A1 INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-05-12 US 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-20110112161-A1 INDOLE AND INDAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, PYGL, GSK3B GSK3B 3/4885GYS1 4/4885NTRK1 4312/4885

“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.