SCHEMBL21928540

SCHEMBL21928540

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)cn4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
PTGER4 P35408 1/20 0.37
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
MAP4K4 O95819 1/20 0.35
TDO2 P48775 1/20 0.35
NTRK1 P04629 2/20 0.35
PIK3CA P42336 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
CHEK1 O14757 1/20 0.35
DHFR P00374 1/20 0.35
KIT P10721 1/20 0.35
CLK4 Q9HAZ1 1/20 0.34
ALDH1A3 P47895 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL21928411 0.97 GRM5 (0.39) GRM5PTGER4PLGPLAUMAP4K4
SCHEMBL21928384 0.97 GRM5 (0.39) GRM5PTGER4PLGPLAUMAP4K4
SCHEMBL21929200 0.97 GRM5 (0.40) GRM5PTGER4PLGPLAUMAP4K4
SCHEMBL21928539 0.96 GRM5 (0.38) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21928542 0.94 GRM5 (0.38) GRM5PTGER4PLGPLAUMAP4K4
SCHEMBL21929215 0.94 GRM5 (0.38) GRM5PTGER4PLGPLAUMAP4K4
SCHEMBL21928385 0.94 GRM5 (0.41) GRM5PLGPLAUMAP4K4NTRK1
SCHEMBL21928983 0.94 GRM5 (0.38) GRM5PTGER4TDO2NTRK1PIK3CA
SCHEMBL21929229 0.93 PTGER4 (0.40) PTGER4PLAUMAP4K4TDO2GABRA1
SCHEMBL21928600 0.93 GRM5 (0.39) 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 2003/4885PTGER4 1018/4885PLG 3938/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GRM5 2961/4885PTGER4 1294/4885PLG 2033/4885

“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.