SCHEMBL19919794

SCHEMBL19919794

N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
TRPA1 O75762 1/20 0.40
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 6/20 0.39
CYP3A4 P08684 6/20 0.39
CLK4 Q9HAZ1 3/20 0.39
USP2 O75604 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
MEN1 O00255 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
SCHEMBL19919795 0.98 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3TRPA1
SCHEMBL19913328 0.95 SQOR (0.38) GABRG2GABRB3GABRA5GABRA3NR3C1
SCHEMBL19919751 0.94 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3TRPA1
SCHEMBL19909529 0.92 MYC (0.37) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL19913238 0.91 AR (0.38) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL19919753 0.90 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3TRPA1
SCHEMBL19909520 0.90 MYC (0.39) GABRG2GABRB3GABRA5GABRA3HPGD
SCHEMBL19919754 0.90 MYC (0.38) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL19908971 0.89 MEN1 (0.36) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL31272865 0.89 MYC (0.39) GABRG2GABRB3GABRA5GABRA3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 GABRG2 1265/4885GABRB3 497/4885GABRA5 2373/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 GABRG2 3357/4885GABRB3 2623/4885GABRA5 4415/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 GABRG2 1265/4885GABRB3 497/4885GABRA5 2373/4885

“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.