SCHEMBL21031695

SCHEMBL21031695

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PDE10A Q9Y233 1/20 0.35
KMT2A Q03164 5/20 0.34
ABCG2 Q9UNQ0 4/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
IL1R1 P14778 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL21032831 0.95 KDM4E (0.39) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21032833 0.95 KDM4E (0.39) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21147321 0.93 ATM (0.41) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21147319 0.93 ATM (0.41) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21146942 0.93 ATM (0.41) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL24125361 0.93 KDM4E (0.37) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21147223 0.93 ATM (0.41) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21147835 0.93 ATM (0.41) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21147170 0.93 ATM (0.41) KDM4EATML3MBTL1PDE10AKMT2A
SCHEMBL21147167 0.92 KDM4E (0.42) KDM4EATML3MBTL1PDE10AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200358002-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-11-12 US disclosed
WO-2019101594-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-31 WO 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 (1 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-20200358002-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, AOX1, IKZF3 KDM4E 1845/4885ATM 4067/4885L3MBTL1 3356/4885

“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.