SCHEMBL21546767

SCHEMBL21546767

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5cccc(C#N)c5)cc(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4C#N)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
PTPN5 P54829 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
CLK4 Q9HAZ1 3/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PGR P06401 2/20 0.36
ALDH1A3 P47895 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NOTUM Q6P988 1/20 0.36
IDO1 P14902 1/20 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

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
SCHEMBL21547016 0.96 MAP4K4 (0.40) GRIA2GRIA4MAP4K4PTPN5XDH
SCHEMBL21546742 0.95 ADORA1 (0.42) GRIA2GRIA4CHEK1MAP4K4PTPN5
SCHEMBL21414288 0.93 MAP4K4 (0.39) GRIA2GRIA4MAP4K4PTPN5XDH
SCHEMBL21546684 0.93 MAP4K4 (0.39) GRIA2GRIA4MAP4K4PTPN5XDH
SCHEMBL22761070 0.93 CLK4 (0.40) GRIA2GRIA4MAP4K4XDHSLC22A12
SCHEMBL21546819 0.91 GRIA2 (0.39) GRIA2GRIA4CHEK1MAP4K4PTPN5
SCHEMBL21414170 0.91 CHEK1 (0.38) CHEK1MAP4K4PGRPLAU
SCHEMBL19909503 0.90 AURKA (0.43) GRIA2GRIA4MAP4K4CLK4ADORA2A
SCHEMBL21546765 0.90 MAP4K4 (0.40) GRIA2GRIA4MAP4K4PTPN5XDH
SCHEMBL21546840 0.89 ADORA2A (0.37) GRIA2GRIA4CHEK1MAP4K4PTPN5

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 GRIA2 1894/4885GRIA4 3116/4885CHEK1 1834/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM GRIA2 1894/4885GRIA4 3116/4885CHEK1 1834/4885

“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.