SCHEMBL21931676

SCHEMBL21931676

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6cc(-c7cc(C#N)cc(C#N)c7)ccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)cn4)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 2/20 0.38
PIK3CA P42336 1/20 0.38
CLK4 Q9HAZ1 3/20 0.37
DHFR P00374 1/20 0.37
KIT P10721 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL21931692 0.97 GRM5 (0.40) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21929215 0.96 GRM5 (0.38) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21928385 0.93 GRM5 (0.41) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21928539 0.93 GRM5 (0.38) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21929200 0.92 GRM5 (0.40) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21928600 0.92 GRM5 (0.39) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21929181 0.92 NTRK1 (0.37) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21931677 0.91 MAP4K4 (0.40) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21928981 0.91 CLK4 (0.40) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21928976 0.90 CYP1A2 (0.40) GRM5PLGPLAUMAP4K4NTRK1

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 GRM5 2003/4885PLG 3938/4885PLAU 2881/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GRM5 2961/4885PLG 2033/4885PLAU 920/4885

“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.