SCHEMBL3492286

SCHEMBL3492286

COc1cccc(-c2coc3ccc(-c4nnc(C)o4)cc23)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.65
SMN1; SMN2 Q16637 5/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 4/20 0.50
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
KCNA3 P22001 1/20 0.50
TP53 P04637 3/20 0.49
TDP1 Q9NUW8 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PSMB8 P28062 1/20 0.48
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3491720 0.88 GSK3B (0.67) GSK3BKMT2ANPC1RAB9ANPSR1
SCHEMBL3491285 0.87 GSK3B (0.55) GSK3BSMN1; SMN2KDM4ENPC1HPGD
Methylamine SCHEMBL3491314 0.86 GSK3B (0.54) GSK3BSMN1; SMN2KMT2AKDM4ENPC1
SCHEMBL3492223 0.84 GSK3B (0.53) GSK3BSMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL3490534 0.84 GSK3B (0.72) GSK3BNPC1
SCHEMBL3492891 0.84 GSK3B (0.61) GSK3BNOTUM
SCHEMBL3491706 0.84 GSK3B (0.61) GSK3BSMN1; SMN2NPC1RAB9AKCNA3
SCHEMBL3492655 0.84 GSK3B (0.56) GSK3B
SCHEMBL10054151 0.83 KDM4E (0.69) SMN1; SMN2KMT2AKDM4ENPC1HPGD
SCHEMBL3490942 0.82 GSK3B (0.59) GSK3BSMN1; SMN2NPC1HPGDRAB9A

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 1/4885SMN1; SMN2 1036/4885KMT2A 1247/4885

“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.