SCHEMBL21546581

SCHEMBL21546581

N#Cc1cccc(-c2c(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)cc(C#N)cc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
PTPN5 P54829 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
ADORA2A P29274 2/20 0.38
MAP4K4 O95819 1/20 0.38
CLK4 Q9HAZ1 2/20 0.37
CHEK1 O14757 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
PGR P06401 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21546759 0.96 ALDH1A3 (0.39) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21546746 0.96 MAP4K4 (0.40) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21546578 0.94 ALDH1A3 (0.38) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21546786 0.93 MAP4K4 (0.39) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21546747 0.93 PTPN5 (0.38) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21414242 0.92 PGR (0.38) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21414265 0.92 MAP4K4 (0.39) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21546788 0.91 ALDH1A3 (0.37) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21546479 0.91 GRIA2 (0.39) ALDH1A3GRIA2GRIA4PTPN5XDH
SCHEMBL21546582 0.91 ALDH1A3 (0.42) ALDH1A3GRIA2GRIA4PTPN5XDH

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 ALDH1A3 39/4885GRIA2 1894/4885GRIA4 3116/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ALDH1A3 39/4885GRIA2 1894/4885GRIA4 3116/4885

“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.