SCHEMBL3490598

SCHEMBL3490598

Fc1cccc(COc2nnc(-c3ccc4c(c3)CCO4)o2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.68
▸ MAOB P27338 1/20 0.45
▸ GRM5 P41594 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ METAP2 P50579 1/20 0.42
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL3492535 0.81 GSK3B (1.00) GSK3BNPC1MAPTRAB9AMETAP2
SCHEMBL3491210 0.79 GSK3B (1.00) GSK3BNPC1MAPTRAB9A
SCHEMBL3492383 0.79 GSK3B (0.68) GSK3BNPC1MAPTRAB9AMETAP2
SCHEMBL3493208 0.79 GSK3B (1.00) GSK3B
SCHEMBL3492192 0.75 GSK3B (0.51) GSK3B
SCHEMBL3493961 0.73 GSK3B (0.68) GSK3BNPC1MAPTRAB9AMETAP2
SCHEMBL3491254 0.73 GSK3B (1.00) GSK3BNPC1MAPTRAB9A
SCHEMBL3494028 0.71 GSK3B (0.66) GSK3BMAOBNPC1MAPTRAB9A
SCHEMBL3492866 0.71 GSK3B (0.66) GSK3BNPC1MAPTRAB9AMETAP2
SCHEMBL3492975 0.69 GSK3B (0.47) GSK3BNPC1RAB9A

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 1/4885MAOB 1938/4885GRM5 2570/4885

“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.

Send feedback