SCHEMBL22109487

SCHEMBL22109487

N#CC(C#N)=C1c2cc(OC(F)(F)F)ccc2-c2c1ccc1c2C(=C(C#N)C#N)c2cc(OC(F)(F)F)ccc2-1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPAS1 Q99814 1/20 0.36
HPRT1 P00492 1/20 0.34
CES1 P23141 1/20 0.34
RAPGEF3 O95398 2/20 0.33

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
SCHEMBL26332378 0.92 GPR3 (0.39) GPR3MAPTALDH1A1PKMGAA
SCHEMBL20594275 0.90 MAPT (0.40) GPR3MAPTALDH1A1PKMGAA
SCHEMBL15779912 0.89 GPR3 (0.41) GPR3MAPTALDH1A1PKMGAA
SCHEMBL20779040 0.89 GPR3 (0.42) GPR3MAPTALDH1A1PKMGAA
SCHEMBL12148955 0.87 GPR3 (0.44) GPR3MAPTALDH1A1PKMGAA
SCHEMBL26332445 0.85 CHRM5 (0.38) MAPTALDH1A1PKMGAATDP1
SCHEMBL12149351 0.85 GPR3 (0.41) GPR3MAPTALDH1A1PKMGAA
SCHEMBL12198207 0.84 ALDH1A1 (0.37) GPR3MAPTALDH1A1PKMGAA
SCHEMBL15779904 0.84 GPR3 (0.39) GPR3MAPTALDH1A1PKMGAA
SCHEMBL20016089 0.82 GPR3 (0.40) GPR3MAPTALDH1A1PKMGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767299-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
US-11767299-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-09-26 US disclosed
US-20200190039-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-18 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 (2 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-20200190039-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM GPR3 4042/4885MAPT 1878/4885ALDH1A1 33/4885
US-11767299-B2 Materials for organic electroluminescent devices L1CAM, EFNA1, EPCAM GPR3 4042/4885MAPT 1878/4885ALDH1A1 33/4885

“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.