SCHEMBL21546655

SCHEMBL21546655

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.41
IDO1 P14902 2/20 0.39
EGLN2 Q96KS0 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 2/20 0.35
MAP4K4 O95819 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
ADRA2C P18825 1/20 0.35
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
PRF1 P14222 1/20 0.34
BRD4 O60885 1/20 0.34
TGFBR1 P36897 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
SCHEMBL21546658 0.95 ADORA2A (0.38) CLK4IDO1EGLN2ADORA2AGABRA1
SCHEMBL21546746 0.93 MAP4K4 (0.40) CLK4IDO1MAP4K4XDHSLC22A12
SCHEMBL21546786 0.90 MAP4K4 (0.39) CLK4IDO1MAP4K4XDHSLC22A12
SCHEMBL21546616 0.90 CLK4 (0.41) CLK4IDO1EGLN2NOTUMMAOB
SCHEMBL21414114 0.89 USP14 (0.32) CLK4CDC7CDK2GRM5
SCHEMBL21546695 0.89 CLK4 (0.37) CLK4IDO1EGLN2BRD4TGFBR1
SCHEMBL21546581 0.89 ALDH1A3 (0.41) CLK4ADORA2AMAP4K4XDHSLC22A12
SCHEMBL21414265 0.89 MAP4K4 (0.39) CLK4IDO1MAP4K4XDHSLC22A12
SCHEMBL21929212 0.87 IDO1 (0.43) CLK4IDO1EGLN2NOTUMMAOB
SCHEMBL21546656 0.87 ADORA2A (0.39) CLK4IDO1EGLN2ADORA2AGABRA1

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 CLK4 4622/4885IDO1 1748/4885EGLN2 3607/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CLK4 4622/4885IDO1 1748/4885EGLN2 3607/4885

“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.