SCHEMBL23968916

SCHEMBL23968916

N#CC(C#N)=C1c2cc(C#N)c(-c3c(F)cccc3F)cc2-c2cc(-c3c(F)cccc3F)c(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PDK2 Q15119 1/20 0.33
BCAT1 P54687 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
HPRT1 P00492 1/20 0.32
MAP4K1 Q92918 2/20 0.32
TRPV4 Q9HBA0 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL23969071 0.94 PDK2 (0.37) MAPTPKMALDH1A1GAAPDK2
SCHEMBL23969101 0.86 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAHPRT1
SCHEMBL21917669 0.86 ALDH1A1 (0.33) MAPTPKMALDH1A1GAAHPRT1
SCHEMBL23968858 0.85 USP8 (0.39) MAPTPKMALDH1A1GAAPDK2
SCHEMBL23969009 0.85 ALDH1A1 (0.32) MAPTPKMALDH1A1GAA
SCHEMBL23968917 0.85 USP8 (0.39) MAPTPKMALDH1A1GAAPDK2
SCHEMBL23968992 0.83 AR (0.39) MAP4K1AR
SCHEMBL23969103 0.83 ALDH1A1 (0.34) MAPTPKMALDH1A1GAAHPRT1
SCHEMBL23968921 0.83 ALDH1A1 (0.34) MAPTPKMALDH1A1GAAHPRT1
SCHEMBL21917668 0.79 GRM5 (0.41) MAPTPKMALDH1A1GAAPDK2

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 MAPT 1908/4885PKM 2603/4885ALDH1A1 1094/4885

“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.