SCHEMBL21928652

SCHEMBL21928652

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(-c5ccccc5C#N)c(-n5c6cc(-c7cc(C#N)cc(C#N)c7)ccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)cn4)c3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PGR P06401 1/20 0.34
GABRG2 P18507 9/20 0.33
GABRB3 P28472 9/20 0.33
GABRA1 P14867 8/20 0.33
GABRA3 P34903 7/20 0.33
GABRA5 P31644 5/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21929320 0.97 PTGER4 (0.34) GRIN1GRIN2BTRPA1ALOX5APFEN1
SCHEMBL21928492 0.93 GRIN1 (0.43) GRIN1GRIN2BGABRG2GABRB3GABRA1
SCHEMBL21928634 0.93 TRPA1 (0.36) GRIN1GRIN2BTRPA1ALOX5APFEN1
SCHEMBL21928655 0.93 CYP1A2 (0.36) GRIN1GRIN2BTRPA1ALOX5APFEN1
SCHEMBL21929319 0.92 PTGER4 (0.35) GRIN1GRIN2BTRPA1ALOX5APFEN1
SCHEMBL21929060 0.90 ALDH1A1 (0.39) TRPA1ALOX5APFEN1GABRG2GABRB3
SCHEMBL21931788 0.90 TRPA1 (0.43) TRPA1ALOX5APFEN1GABRG2GABRB3
SCHEMBL21928493 0.90 GRIN1 (0.41) GRIN1GRIN2BGABRG2GABRB3GABRA1
SCHEMBL21928628 0.90 PTGER4 (0.37) GRIN1GRIN2BTRPA1ALOX5APFEN1
SCHEMBL21928629 0.88 GRIN1 (0.41) GRIN1GRIN2BTRPA1ALOX5APFEN1

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 3 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
EP-3609978-B1 ORGANIC MOLECULES IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-03-17 EP 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 GRIN1 1963/4885GRIN2B 766/4885TRPA1 121/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GRIN1 1178/4885GRIN2B 290/4885TRPA1 33/4885

“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.