SCHEMBL21546747

SCHEMBL21546747

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4-c4cccc(C#N)c4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
ALDH1A3 P47895 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
PGR P06401 2/20 0.36
CHEK1 O14757 2/20 0.35
MAP4K4 O95819 1/20 0.35
ADORA2A P29274 1/20 0.35
TDO2 P48775 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
PTGER4 P35408 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
GRM5 P41594 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL25659076 0.96 ALDH1A3 (0.37) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21546759 0.96 ALDH1A3 (0.39) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21546578 0.96 ALDH1A3 (0.38) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21546475 0.94 PTGER4 (0.39) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21546788 0.94 ALDH1A3 (0.37) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21414161 0.93 ALDH1A3 (0.38) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21546581 0.93 ALDH1A3 (0.41) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21546658 0.93 ADORA2A (0.38) ALDH1A3ADORA2ATDO2GABRA1GABRG2
SCHEMBL21546477 0.92 MCHR1 (0.37) PTPN5ALDH1A3GRIA2GRIA4PGR
SCHEMBL21414271 0.91 CHEK1 (0.35) PGRCHEK1MAP4K4TDO2GABRA1

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-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM PTPN5 4550/4885ALDH1A3 39/4885GRIA2 1894/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885ALDH1A3 39/4885GRIA2 1894/4885

“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.