SCHEMBL3493802

SCHEMBL3493802

CCOC(=O)CCc1nnc(-c2ccc3c(c2)CCO3)o1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.54
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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 0.85 GSK3B (0.60) GSK3BKDM4EALDH1A1
SCHEMBL3491483 0.84 GSK3B (0.52) GSK3BMEN1KMT2ANPC1CLK1
SCHEMBL3517190 0.78 KMT2A (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL338133 0.77 CYP4F2 (0.51) NPC1CLK1RAB9APOLB
SCHEMBL3493598 0.77 GSK3B (0.54) GSK3BNPC1RAB9AMAPK1HTT
SCHEMBL3491930 0.75 GSK3B (0.61) GSK3BNPC1RAB9AALDH1A1
SCHEMBL18392699 0.73 RAB9A (0.56) KMT2ANPC1CLK1RAB9AKDM4E
SCHEMBL28987831 0.73 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL15540789 0.71 NPC1 (0.66) GSK3BMEN1KMT2ANPC1CLK1
SCHEMBL15117500 0.71 GSK3B (0.47) GSK3BNPC1CLK1RAB9ASMN1; SMN2

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 1/4885MEN1 1680/4885KMT2A 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.

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