SCHEMBL3493598

SCHEMBL3493598

O=C(CCc1nnc(-c2ccc3c(c2)CCO3)o1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.54
▸ CTNNB1 P35222 4/20 0.53
▸ WNT3A P56704 2/20 0.53
▸ NPC1 O15118 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PLA2G10 O15496 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL3491221 0.82 GSK3B (0.60) GSK3BHSD17B10PLA2G10ALDH1A1
SCHEMBL3493802 0.77 GSK3B (0.54) GSK3BNPC1MAPK1HTTALDH1A1
SCHEMBL3491483 0.75 GSK3B (0.52) GSK3BNPC1L3MBTL1RAB9A
SCHEMBL3491930 0.72 GSK3B (0.61) GSK3BNPC1LMNAALDH1A1MAPT
SCHEMBL3492535 0.70 GSK3B (1.00) GSK3BNPC1MAPTRAB9A
SCHEMBL15968740 0.69 CTNNB1 (1.00) CTNNB1WNT3ANPC1LMNAPKM
SCHEMBL22471887 0.68 DYRK1A (0.61) GSK3BNPC1MAPTRAB9A
SCHEMBL3492192 0.66 GSK3B (0.51) GSK3BPLA2G10
SCHEMBL3492649 0.66 POLB (0.69) GSK3BNPC1HSD17B10TSHRALDH1A1
SCHEMBL1395948 0.66 GSK3B (0.55) GSK3BNPC1MAPTRAB9A

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 1/4885CTNNB1 6/4885WNT3A 31/4885

“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.

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