SCHEMBL22865341

SCHEMBL22865341

N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1ccccc1-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3C#N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
NR3C1 P04150 1/20 0.39
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 5/20 0.36
HSD17B10 Q99714 4/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
NTSR1 P30989 1/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 2/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL22865877 0.97 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22865417 0.97 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22865338 0.97 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22865782 0.97 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL20655273 0.96 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL20655659 0.96 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL20654934 0.95 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22865364 0.95 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22865613 0.94 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL20655647 0.94 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3NR3C1

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-20210005823-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-07 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-20210005823-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, FOXO1, AOX1 GABRG2 3441/4885GABRB3 3489/4885GABRA5 3998/4885

“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.