SCHEMBL3492891

SCHEMBL3492891

Cc1nnc(-c2ccc3occ(-c4cccc(F)c4)c3c2)o1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.61
TRPM8 Q7Z2W7 1/20 0.46
GUSB P08236 1/20 0.42
NOTUM Q6P988 2/20 0.41
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39

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
SCHEMBL3491608 0.88 GSK3B (0.70) GSK3B
SCHEMBL3490534 0.86 GSK3B (0.72) GSK3B
SCHEMBL3491706 0.86 GSK3B (0.61) GSK3BGUSBNOTUMPIM1PIM3
SCHEMBL3492007 0.85 GSK3B (0.58) GSK3BNOTUM
SCHEMBL3492304 0.84 GSK3B (0.59) GSK3BPIM1PIM3PIM2
SCHEMBL3490942 0.84 GSK3B (0.59) GSK3BNOTUMPIM1PIM3PIM2
SCHEMBL3492286 0.84 GSK3B (0.65) GSK3BNOTUM
SCHEMBL3491134 0.83 GSK3B (0.58) GSK3BNOTUM
SCHEMBL3490917 0.83 GSK3B (0.61) GSK3B
SCHEMBL3491285 0.82 GSK3B (0.55) GSK3BNOTUMPIM1PIM3PIM2

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP GSK3B 1/4885TRPM8 4816/4885GUSB 946/4885

“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.