SCHEMBL21547069

SCHEMBL21547069

N#Cc1cccc(-c2cc(-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)c(-n3c4cc(C#N)ccc4c4ccc(C#N)cc43)cc2C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
BRD4 O60885 1/20 0.38
IDO1 P14902 2/20 0.37
ADORA2A P29274 2/20 0.36
CDC7 O00311 1/20 0.35
CDK2 P24941 1/20 0.35
PRF1 P14222 1/20 0.35
ENPP1 P22413 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A3 P47895 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TDP2 O95551 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
SCHEMBL21547064 0.95 ADORA2A (0.38) ADRA2CCLK4BRD4IDO1ADORA2A
SCHEMBL22760967 0.93 ALDH1A3 (0.39) ADRA2CCLK4BRD4IDO1PRF1
SCHEMBL21546811 0.92 STS (0.38) ADRA2CCLK4BRD4IDO1PRF1
SCHEMBL22761151 0.92 PGR (0.37) ADRA2CCLK4BRD4PRF1ALDH1A3
SCHEMBL21546905 0.91 ADORA2A (0.38) ADRA2CCLK4BRD4IDO1ADORA2A
SCHEMBL21546941 0.90 ALDH1A3 (0.37) ADRA2CCLK4BRD4IDO1PRF1
SCHEMBL21546689 0.90 ALDH1A3 (0.42) ADRA2CCLK4ADORA2AADORA1ALDH1A3
SCHEMBL21546855 0.90 ELANE (0.38) ADRA2CCLK4BRD4IDO1ALDH1A3
SCHEMBL21547062 0.89 ADRA2C (0.38) ADRA2CCLK4BRD4IDO1ADORA2A
SCHEMBL22760959 0.89 TRPA1 (0.41) ADRA2CCLK4ADORA2AALDH1A3CYP1A2

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 ADRA2C 3840/4885CLK4 4622/4885BRD4 2909/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADRA2C 3840/4885CLK4 4622/4885BRD4 2909/4885

“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.