SCHEMBL25686263

SCHEMBL25686263

COC1CCN(c2ncc(I)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
EGFR P00533 10/20 0.39
PIK3CA P42336 4/20 0.39
MTOR P42345 4/20 0.39
MAP4K4 O95819 1/20 0.39
CDK2 P24941 3/20 0.37
JAK2 O60674 2/20 0.37
KDR P35968 2/20 0.37
AURKB Q96GD4 2/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
SCD O00767 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36

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
SCHEMBL17411280 0.84 AOC3 (0.51) AOC3EGFRPIK3CAMTORMAP4K4
SCHEMBL27773974 0.83 AOC3 (0.53) AOC3EGFRCDK2JAK2KDR
SCHEMBL31195873 0.83 AOC3 (0.50) AOC3EGFRPIK3CAMTORMAP4K4
SCHEMBL31104582 0.83 AOC3 (0.53) AOC3EGFRMAP4K4CDK2JAK2
SCHEMBL12525386 0.82 AOC3 (0.39) AOC3KCNQ3KCNQ2
SCHEMBL14283205 0.80 KDM4E (0.51) AOC3EGFR
SCHEMBL27855620 0.80 AOC3 (0.51) AOC3EGFRPIK3CAMTOR
SCHEMBL24880754 0.78 POLB (0.56) AOC3KCNQ3KCNQ2SCDKCNQ4
SCHEMBL3828569 0.77 SMO (0.42) AOC3EGFRPIK3CAMTORCDK2
SCHEMBL20148210 0.76 AOC3 (0.51) AOC3EGFRKCNQ3KCNQ2KCNQ4

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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A AOC3 2605/4885EGFR 4191/4885PIK3CA 1530/4885

“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.