SCHEMBL21929162

SCHEMBL21929162

N#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)ncc2-n2c3cc(-c4ccc(C#N)cc4C#N)ccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
IDO1 P14902 1/20 0.34
GRM5 P41594 3/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
MAP4K4 O95819 1/20 0.34
STS P08842 1/20 0.34
NTRK1 P04629 2/20 0.34
PIK3CA P42336 1/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL21929163 0.96 GRIN1 (0.35) LRRK2CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL21929027 0.93 STS (0.38) STSPRMT5WDR77
SCHEMBL21929214 0.92 MAP4K4 (0.36) LRRK2CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL21929199 0.92 GRIN1 (0.41) CLK4CYP1A2CYP3A4HSD17B10GRIN1
SCHEMBL21931692 0.91 GRM5 (0.40) CLK4CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL21928539 0.90 GRM5 (0.38) CLK4CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL21928981 0.90 CLK4 (0.40) LRRK2CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL21929161 0.90 GRM5 (0.34) LRRK2CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL21929276 0.90 STS (0.37) CYP1A2CYP3A4HSD17B10STSPRMT5
SCHEMBL21928600 0.89 GRM5 (0.39) CLK4CYP1A2CYP3A4IDO1GRM5

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 LRRK2 852/4885CLK4 3700/4885CYP1A2 353/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA LRRK2 1976/4885CLK4 4420/4885CYP1A2 24/4885

“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.