SCHEMBL21928490

SCHEMBL21928490

N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2ccccc2C#N)c(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
CYP1A2 P05177 9/20 0.43
CYP3A4 P08684 9/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 6/20 0.43
CLK4 Q9HAZ1 5/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 2/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
TRPA1 O75762 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 4/20 0.40
USP2 O75604 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.39

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
SCHEMBL21931781 0.96 TRPA1 (0.42) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21928999 0.93 GABRG2 (0.39) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21929318 0.92 ALOX5AP (0.40) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21928412 0.92 CYP1A2 (0.40) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21929297 0.92 AR (0.41) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21931788 0.92 TRPA1 (0.43) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21928644 0.91 CYP1A2 (0.36) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21931789 0.91 TRPA1 (0.41) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21929081 0.91 NR3C1 (0.36) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21928655 0.90 CYP1A2 (0.36) NR3C1CYP1A2CYP3A4ALDH1A1HSD17B10

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 NR3C1 2039/4885CYP1A2 353/4885CYP3A4 512/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA NR3C1 3420/4885CYP1A2 24/4885CYP3A4 93/4885

“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.