SCHEMBL3493574

SCHEMBL3493574

CSc1ccc(-c2coc3ccc(-c4nnc(C)o4)cc23)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.54
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NOTUM Q6P988 2/20 0.34

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
SCHEMBL3493995 0.89 GSK3B (0.52) GSK3BNPC1RAB9AALDH1A1
SCHEMBL3490441 0.86 GSK3B (0.67) GSK3B
SCHEMBL3491029 0.83 GSK3B (0.60) GSK3BNPC1RAB9AALDH1A1CYP1A2
SCHEMBL3492304 0.82 GSK3B (0.59) GSK3B
SCHEMBL3493346 0.81 GSK3B (0.58) GSK3BNPC1RAB9AALDH1A1NOTUM
SCHEMBL3490425 0.81 GSK3B (0.55) GSK3BNPC1RAB9A
SCHEMBL3490840 0.81 GSK3B (0.55) GSK3BNOTUM
SCHEMBL3490452 0.81 GSK3B (0.53) GSK3BRAB9ANOTUM
SCHEMBL3491394 0.80 GSK3B (0.56) GSK3B
SCHEMBL3492680 0.80 GSK3B (0.58) GSK3BNPC1RAB9AALDH1A1NOTUM

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 1/4885NPC1 1571/4885RAB9A 3231/4885

“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.