SCHEMBL26153016

SCHEMBL26153016

CC(C)(C)c1cnc(N2CC3CC2CO3)nc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 17/20 0.45
▸ MTOR P42345 2/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ MAP3K13 O43283 2/20 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
SCHEMBL13658046 0.82 MAP3K12 (0.46) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL13658075 0.82 MAP3K12 (0.46) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL26151679 0.82 MAP3K12 (0.46) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL30749108 0.80 MAP3K12 (0.48) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL26153027 0.76 MAP3K12 (0.40) MAP3K12
SCHEMBL19012686 0.76 KCNQ3 (0.38) MAP3K12MTORPIK3CAKCNQ3KCNQ2
SCHEMBL18339649 0.75 MAP3K12 (0.42) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL30748906 0.75 MAP3K12 (0.42) MAP3K12MTORPIK3CAMAP3K13
SCHEMBL2143738 0.72 KCNQ3 (0.43) MAP3K12MTORPIK3CAKCNQ3KCNQ2
SCHEMBL1367412 0.72 KCNQ3 (0.43) MAP3K12MTORPIK3CAKCNQ3KCNQ2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 — — 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-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B MAP3K12 1165/4885MTOR 2798/4885PIK3CA 2054/4885

“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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