SCHEMBL24737231

SCHEMBL24737231

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cncc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2-c2ccccc2C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
MAP4K4 O95819 1/20 0.38
GABRA1 P14867 2/20 0.38
NEK1 Q96PY6 1/20 0.38
ALDH1A3 P47895 1/20 0.37
IDO1 P14902 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM5 P41594 1/20 0.36
PDK2 Q15119 1/20 0.36
NR3C1 P04150 1/20 0.36

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
SCHEMBL24737222 0.97 GRIN1 (0.41) GRIN1GRIN2BGABRG2GABRB3GABRA5
SCHEMBL21929205 0.93 NR3C1 (0.40) GRIN1GRIN2BGABRG2GABRB3GABRA5
SCHEMBL21931787 0.92 PRMT5 (0.37) GRIN1GRIN2BGABRG2GABRB3GABRA5
SCHEMBL21931800 0.91 GRIN1 (0.45) GRIN1GRIN2BGABRG2GABRB3GABRA5
SCHEMBL21929086 0.91 PRMT5 (0.37) GABRG2GABRB3GABRA5GABRA3MAP4K4
SCHEMBL21931719 0.91 CYP11B1 (0.43) GABRG2GABRB3GABRA5GABRA3PRMT5
SCHEMBL23098118 0.90 GRIN1 (0.43) GRIN1GRIN2BGABRG2GABRB3GABRA5
SCHEMBL24737368 0.90 TRPA1 (0.39) GRIN1GRIN2BGABRG2GABRB3GABRA5
SCHEMBL24737224 0.89 PRMT5 (0.35) GRIN1GRIN2BGABRG2GABRB3GABRA5
SCHEMBL21931843 0.88 NR3C1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GRIN1 1178/4885GRIN2B 290/4885GABRG2 1307/4885

“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.