SCHEMBL3493620

SCHEMBL3493620

CSc1ccc(-c2coc3ccc(C(=O)NN(C)C(N)=S)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.45
HTR1A P08908 2/20 0.36
HTR1D P28221 2/20 0.36
HTR2C P28335 2/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
MAOB P27338 1/20 0.35
AR P10275 1/20 0.35
PLK1 P53350 1/20 0.33
MTNR1B P49286 1/20 0.33
MTNR1A P48039 1/20 0.33
HAO1 Q9UJM8 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL3491848 0.82 GSK3B (0.52) GSK3BHTR1AHTR1DHTR2CPOLB
SCHEMBL3493625 0.80 GSK3B (0.47) GSK3BPOLBNPC1MAOBPLK1
SCHEMBL3491084 0.77 GSK3B (0.60) GSK3BPOLBNPC1MAOBMTNR1B
SCHEMBL3490841 0.67 AR (0.41) GSK3BHTR1AHTR1DHTR2CPOLB
SCHEMBL3490849 0.67 CA1 (0.55) GSK3BPOLBNPC1MAOBLMNA
SCHEMBL3492318 0.67 FGFR1 (0.44) TP53
SCHEMBL3493195 0.64 GSK3B (0.51) GSK3BPOLBNPC1MAOBMTNR1B
SCHEMBL7878289 0.64 GSK3B (0.56) GSK3BPOLBNPC1MAOB
SCHEMBL3492965 0.63 GSK3B (0.62) GSK3BPOLBNPC1MAOBLMNA
SCHEMBL3490460 0.62 GSK3B (0.58) GSK3B

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 1/4885HTR1A 4196/4885HTR1D 4413/4885

“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.