SCHEMBL23969082

SCHEMBL23969082

N#CC(C#N)=C1c2cc(OC(F)(F)F)c(-c3ccncc3)cc2-c2cc(-c3ccncc3)c(OC(F)(F)F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.37
PDE2A O00408 1/20 0.33
DHODH Q02127 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE10A Q9Y233 1/20 0.33
EGFR P00533 2/20 0.32
FGFR1 P11362 2/20 0.32
KDR P35968 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
PDK2 Q15119 2/20 0.31
SCN9A Q15858 1/20 0.31
BCR P11274 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL23968819 0.87 BACE1 (0.41) MAPTPKMALDH1A1GAA
SCHEMBL21917313 0.86 BACE1 (0.37) MAPTPKMALDH1A1GAASCN9A
SCHEMBL23968861 0.85 ALDH1A1 (0.39) ABL1MAPTMEN1KMT2AALDH1A1
SCHEMBL23968957 0.85 PDE3B (0.37) DHODHMAPTPKMMEN1KMT2A
SCHEMBL23968857 0.85 PDE3B (0.31) MAPTPKMALDH1A1GAASCN9A
SCHEMBL21917113 0.84 PDE3B (0.37) DHODHMAPTPKMALDH1A1GAA
SCHEMBL21917690 0.84 ALDH1A1 (0.38) ABL1MAPTMEN1KMT2AALDH1A1
SCHEMBL21917288 0.84 PTGDR2 (0.41) MAPTPKMALDH1A1GAAPDK2
SCHEMBL23969016 0.83 PTGDR2 (0.40) MAPTPKMALDH1A1GAAPDK2
SCHEMBL12149348 0.83 MAPT (0.36) EGFRMAPTPKMMEN1KMT2A

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 ABL1 243/4885PDE2A 4667/4885DHODH 1163/4885

“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.