SCHEMBL23969071

SCHEMBL23969071

N#CC(C#N)=C1c2cc(-c3c(F)cccc3C#N)c(C#N)cc2-c2cc(C#N)c(-c3c(F)cccc3C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
MAP4K1 Q92918 2/20 0.33
TYK2 P29597 4/20 0.31
BCAT1 P54687 1/20 0.31
USP8 P40818 1/20 0.31
USP7 Q93009 1/20 0.31
HPRT1 P00492 1/20 0.31
JAK2 O60674 3/20 0.31

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
SCHEMBL23968916 0.94 MAPT (0.35) PDK2ALDH1A1GAAMAPTPKM
SCHEMBL23968858 0.82 USP8 (0.39) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL23968917 0.82 USP8 (0.39) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL21917669 0.81 ALDH1A1 (0.33) ALDH1A1GAAMAPTPKMHPRT1
SCHEMBL23969101 0.81 ALDH1A1 (0.33) ALDH1A1GAAMAPTPKMHPRT1
SCHEMBL23969103 0.80 ALDH1A1 (0.34) ALDH1A1GAAMAPTPKMHPRT1
SCHEMBL23968921 0.80 ALDH1A1 (0.34) ALDH1A1GAAMAPTPKMHPRT1
SCHEMBL23969009 0.79 ALDH1A1 (0.32) ALDH1A1GAAMAPTPKM
SCHEMBL21917271 0.77 USP8 (0.42) PDK2GABRG2GABRB3GABRA5GABRA3
SCHEMBL21917340 0.77 GRM5 (0.41) PDK2GABRG2GABRB3GABRA5GABRA3

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-11165025-B2 Compound and organic electronic element comprising same LG CHEM, LTD. 2021-11-02 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-11165025-B2 Compound and organic electronic element comprising same OR10J3, ESR1, ETV6 PDK2 1589/4885GABRA1 3113/4885GABRG2 2436/4885

“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.