SCHEMBL3491608

SCHEMBL3491608

Cc1nnc(-c2ccc3occ(-c4ccc(F)cc4)c3c2)o1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.70
PSMB8 P28062 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 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
SCHEMBL3490534 0.88 GSK3B (0.72) GSK3BNPC1
SCHEMBL3492891 0.88 GSK3B (0.61) GSK3B
SCHEMBL3491134 0.88 GSK3B (0.58) GSK3BNPC1RAB9A
SCHEMBL3492032 0.87 GSK3B (0.70) GSK3B
SCHEMBL3491994 0.87 GSK3B (0.70) GSK3B
SCHEMBL3490397 0.86 GSK3B (0.66) GSK3BNPC1RAB9A
SCHEMBL3493033 0.86 GSK3B (0.56) GSK3BNPC1RAB9A
SCHEMBL3491720 0.85 GSK3B (0.67) GSK3BNPC1RAB9A
SCHEMBL3493645 0.85 GSK3B (0.67) GSK3B
SCHEMBL3490441 0.85 GSK3B (0.67) GSK3B

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 1/4885PSMB8 3937/4885NPC1 1571/4885

“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.