SCHEMBL22563369

SCHEMBL22563369

N#Cc1cc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MAPK1 P28482 2/20 0.36
GABRA1 P14867 4/20 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
SCHEMBL23487694 0.97 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL21278727 0.94 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL19943149 0.93 NR3C1 (0.40) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22563520 0.92 ABCG2 (0.38) GABRG2GABRB3GABRA5GABRA3LMNA
SCHEMBL19919730 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL21109709 0.90 TRPA1 (0.38) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22563561 0.89 ABCG2 (0.37) GABRG2GABRB3GABRA5GABRA3LMNA
SCHEMBL22563571 0.89 MYC (0.42) GABRG2GABRB3GABRA5GABRA3HPGD
SCHEMBL19919474 0.89 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL22562451 0.88 GABRG2 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 GABRG2 1079/4885GABRB3 1508/4885GABRA5 2634/4885

“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.