SCHEMBL23969079

SCHEMBL23969079

N#CC(C#N)C1c2cc(OC(F)(F)F)c(-c3ccccn3)cc2-c2cc(-c3ccccn3)c(OC(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
CBFB Q13951 2/20 0.34
RUNX1 Q01196 1/20 0.34
SCN9A Q15858 4/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
CTSA P10619 1/20 0.31
GPR39 O43194 1/20 0.30
ABL1 P00519 1/20 0.30
FFAR1 O14842 1/20 0.30
DYRK1A Q13627 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
SCHEMBL23968959 0.82 AR (0.36) SCN9AALOX5APFEN1CTSAFFAR1
SCHEMBL23969001 0.77 CYP1A2 (0.35) ALOX5APFEN1
SCHEMBL23968843 0.74 GRM5 (0.37) GRM5CBFBRUNX1SCN9AHCRTR1
SCHEMBL23968829 0.71
SCHEMBL23968831 0.71 AR (0.36) ALOX5APFEN1
SCHEMBL23968844 0.71 TRPA1 (0.31) ABL1
SCHEMBL23968863 0.70 AR (0.40) SCN9A
SCHEMBL23968865 0.70 KDM4E (0.32) CTSA
SCHEMBL21252801 0.70 GPR3 (0.41) SCN9AALOX5APFEN1
SCHEMBL8230055 0.69 GRM5 (0.52) GRM5CBFBRUNX1SCN9AALOX5AP

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 GRM5 2159/4885CBFB 863/4885RUNX1 139/4885

“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.