SCHEMBL21378049

SCHEMBL21378049

Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)cc(-n2c3ccccc3c3cc(C)ccc32)c1-c1ccccc1-n1c2ccccc2c2cnccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
ELANE P08246 3/20 0.35
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
CYP2D6 P10635 1/20 0.33
PTGER4 P35408 1/20 0.33
IDO1 P14902 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
TOP2A P11388 1/20 0.32
CYP11B2 P19099 1/20 0.31
HRH1 P35367 2/20 0.31
HTR6 P50406 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL21378050 0.94 ACHE (0.36) ACHEGRIN1GRIN2AELANEPTGER4
SCHEMBL21378084 0.87 MAOA (0.34) ACHEMAOAMAOBNCOA3CYP11B2
SCHEMBL21377979 0.84 ACHE (0.40) ACHEGRIN1GRIN2AELANEMAOA
SCHEMBL21378032 0.84 ACHE (0.40) ACHEGRIN1GRIN2AELANEMAOA
SCHEMBL21377994 0.84 ACHE (0.40) ACHEGRIN1GRIN2AELANEMAOA
SCHEMBL19913139 0.83 MAPK14 (0.37) ACHEELANEPTGER4CYP11B2
SCHEMBL21758159 0.81 CYP11B2 (0.37) ACHEGRIN1GRIN2AELANEPTGER4
SCHEMBL21758342 0.81 CYP11B2 (0.39) ACHEGRIN1GRIN2AELANEPTGER4
SCHEMBL21758717 0.80 CYP11B2 (0.36) ACHEGRIN1GRIN2AELANEPTGER4
SCHEMBL20617123 0.80 AR (0.36) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608333-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-03-21 US disclosed
US-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ACHE 251/4885GRIN1 1201/4885GRIN2A 859/4885
US-11608333-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ACHE 251/4885GRIN1 1201/4885GRIN2A 859/4885

“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.