SCHEMBL21929211

SCHEMBL21929211

N#Cc1cccc(-c2c(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cncc2-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
CLK4 Q9HAZ1 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL21929208 0.95 IDO1 (0.40) IDO1CLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21928417 0.93 MAP4K4 (0.44) IDO1CLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21928423 0.92 MAP4K4 (0.41) IDO1CLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21928432 0.92 MAP4K4 (0.41) IDO1CLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21929212 0.90 IDO1 (0.43) IDO1CLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21929196 0.90 GABRG2 (0.44) IDO1CLK4GABRA1GABRG2GABRB3
SCHEMBL21929008 0.90 IDO1 (0.40) IDO1CLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21929206 0.90 MAP4K4 (0.41) IDO1CLK4CHRNB2CHRNA5CHRNA4
SCHEMBL21928459 0.89 AR (0.38) CYP11B2CYP17A1CYP11B1
SCHEMBL21929210 0.89 IDO1 (0.39) IDO1CLK4CHRNB2CHRNA5CHRNA4

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 IDO1 602/4885CLK4 3700/4885CHRNB2 763/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA IDO1 1840/4885CLK4 4420/4885CHRNB2 1261/4885

“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.