SCHEMBL21546786

SCHEMBL21546786

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cc(C#N)cc(C#N)c7)ccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)c4-c4cccc(C#N)c4)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CLK4 Q9HAZ1 3/20 0.38
ALDH1A3 P47895 1/20 0.37
IDO1 P14902 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
PGR P06401 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PTPN5 P54829 1/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35

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
SCHEMBL21546746 0.97 MAP4K4 (0.40) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21414265 0.96 MAP4K4 (0.39) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21546788 0.95 ALDH1A3 (0.37) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21546581 0.93 ALDH1A3 (0.41) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21546578 0.92 ALDH1A3 (0.38) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21546984 0.91 GRM5 (0.37) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21414161 0.91 ALDH1A3 (0.38) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL22760724 0.90 MAP4K4 (0.42) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21546655 0.90 CLK4 (0.41) MAP4K4XDHSLC22A12CLK4ALDH1A3
SCHEMBL21414144 0.90 PGR (0.36) MAP4K4PGRCHEK1

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 MAP4K4 2642/4885XDH 474/4885SLC22A12 1034/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAP4K4 2642/4885XDH 474/4885SLC22A12 1034/4885

“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.