SCHEMBL3491210

SCHEMBL3491210

Fc1cccc(CNc2nnc(-c3ccc4c(c3)CCO4)o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 1.00
▸ CDC7 O00311 4/20 0.48
▸ CCNE1 P24864 4/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ DBF4 Q9UBU7 4/20 0.48
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ADCY8 P40145 1/20 0.44
▸ ADCY1 Q08828 1/20 0.44
▸ QPCT Q16769 1/20 0.43

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) GSK3BNPC1MAPTRAB9AQPCT
SCHEMBL3493208 0.79 GSK3B (1.00) GSK3B
SCHEMBL3493961 0.79 GSK3B (0.68) GSK3BNPC1MAPTRAB9A
SCHEMBL3490598 0.79 GSK3B (0.68) GSK3BNPC1MAPTRAB9A
SCHEMBL3491254 0.73 GSK3B (1.00) GSK3BNPC1MAPTRAB9A
SCHEMBL12507119 0.73 CDC7 (0.78) GSK3BCDC7CCNE1CDK2DBF4
SCHEMBL3492383 0.73 GSK3B (0.68) GSK3BNPC1MAPTRAB9AQPCT
SCHEMBL3494028 0.71 GSK3B (0.66) GSK3BNPC1MAPTRAB9AQPCT
SCHEMBL3492866 0.71 GSK3B (0.66) GSK3BNPC1MAPTRAB9A
SCHEMBL3492013 0.68 GSK3B (1.00) 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 1/4885CDC7 1097/4885CCNE1 2505/4885

“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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