SCHEMBL21928630

SCHEMBL21928630

N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(-c3ccccc3C#N)c(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRM5 P41594 4/20 0.39
MAP4K4 O95819 1/20 0.39
GABRG2 P18507 5/20 0.37
GABRB3 P28472 5/20 0.37
CLK4 Q9HAZ1 4/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
GABRA1 P14867 4/20 0.36
GABRA2 P47869 3/20 0.36
NTRK1 P04629 2/20 0.36
PIK3CA P42336 1/20 0.36
NEK1 Q96PY6 1/20 0.36
CHEK1 O14757 1/20 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
SCHEMBL21928491 0.97 GRIN1 (0.39) GRIN1GRIN2BGRM5MAP4K4GABRG2
SCHEMBL21929201 0.95 GABRA1 (0.40) GRIN1GRIN2BGRM5MAP4K4GABRG2
SCHEMBL21928492 0.93 GRIN1 (0.43) GRIN1GRIN2BGRM5MAP4K4GABRG2
SCHEMBL21928655 0.93 CYP1A2 (0.36) GRIN1GRIN2BGABRG2GABRB3CLK4
SCHEMBL21929198 0.92 GABRA1 (0.38) GRIN1GRIN2BGRM5MAP4K4GABRG2
SCHEMBL21928493 0.92 GRIN1 (0.41) GRIN1GRIN2BGRM5MAP4K4GABRG2
SCHEMBL21928644 0.91 CYP1A2 (0.36) MAP4K4GABRG2GABRB3CLK4GABRA5
SCHEMBL21928999 0.91 GABRG2 (0.39) GABRG2GABRB3CLK4GABRA5GABRA3
SCHEMBL21931689 0.90 MAP4K4 (0.43) GRM5MAP4K4GABRG2GABRB3CLK4
SCHEMBL21929319 0.90 PTGER4 (0.35) GRIN1GRIN2BGABRG2GABRB3CLK4

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 GRIN1 1963/4885GRIN2B 766/4885GRM5 2003/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GRIN1 1178/4885GRIN2B 290/4885GRM5 2961/4885

“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.