SCHEMBL21546497

SCHEMBL21546497

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.47
CYP3A4 P08684 10/20 0.47
CLK4 Q9HAZ1 8/20 0.47
CYP2D6 P10635 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 5/20 0.47
HSD17B10 Q99714 5/20 0.47
CYP2C19 P33261 4/20 0.47
TSHR P16473 4/20 0.47
CYP2C9 P11712 3/20 0.47
MAPK1 P28482 5/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 6/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41

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
SCHEMBL22760790 0.97 CYP1A2 (0.46) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21414249 0.95 CYP1A2 (0.41) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21546492 0.94 CYP1A2 (0.47) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21546898 0.92 CYP1A2 (0.43) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21546840 0.91 ADORA2A (0.37) CLK4ADORA2AADORA1ALDH1A3ADORA2B
SCHEMBL21546490 0.91 CYP1A2 (0.42) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21546895 0.90 CYP1A2 (0.46) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21546909 0.89 CLK4 (0.53) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21109712 0.89 ADORA1 (0.37) CYP1A2CYP3A4CLK4CYP2D6MEN1
SCHEMBL21546742 0.88 ADORA1 (0.42) CYP1A2CYP3A4CLK4CYP2D6ALDH1A1

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 CYP1A2 512/4885CYP3A4 904/4885CLK4 4622/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CYP1A2 512/4885CYP3A4 904/4885CLK4 4622/4885

“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.