SCHEMBL21546765

SCHEMBL21546765

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3cccc(C#N)c3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.40
PGR P06401 2/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
CLK4 Q9HAZ1 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PTPN5 P54829 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ALDH1A3 P47895 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NOTUM Q6P988 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
SCHEMBL21547025 0.96 MAP4K4 (0.43) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21546768 0.95 PTGER4 (0.38) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21546441 0.95 ADORA1 (0.42) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21414298 0.93 MAP4K4 (0.41) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21546496 0.93 MAP4K4 (0.41) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21546764 0.93 CLK4 (0.40) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21546834 0.91 GRIA2 (0.39) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21546928 0.91 ADORA2A (0.40) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL22760703 0.91 MAP4K4 (0.40) MAP4K4PGRGRIA2GRIA4CLK4
SCHEMBL21414180 0.91 MAP4K4 (0.37) MAP4K4PGRPLAU

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 2642/4885PGR 3398/4885GRIA2 1894/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAP4K4 2642/4885PGR 3398/4885GRIA2 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.