SCHEMBL21716772

SCHEMBL21716772

c1cc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)c3ccccc3n2)cc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)c4ccccc4cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABCG2 Q9UNQ0 4/20 0.31
GAA P10253 1/20 0.31
WHR1 P49842 1/20 0.31
ADORA2A P29274 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 1/20 0.31
PKN1 Q16512 1/20 0.31

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
SCHEMBL22883737 0.90 KDM4E (0.35) ATMKDM4EL3MBTL1NPC1LMNA
SCHEMBL21213665 0.88 ATM (0.39) ATMMEN1KMT2AAURKAAURKB
SCHEMBL21716792 0.87 MEN1 (0.34) ATMMEN1KMT2A
SCHEMBL21716775 0.87 ATM (0.33) ATMMEN1KMT2AAURKAAURKB
SCHEMBL21716791 0.87 MEN1 (0.34) ATMMEN1KMT2A
SCHEMBL22884543 0.87 KDM4E (0.33) ATMKDM4EL3MBTL1NPC1LMNA
SCHEMBL22884053 0.85 PDPK1 (0.32) ATMKDM4EL3MBTL1NPC1LMNA
SCHEMBL21717584 0.85 ATM (0.37) ATMMEN1KMT2AAURKAAURKB
SCHEMBL22883671 0.85 PDPK1 (0.35) ATMKDM4EL3MBTL1NPC1LMNA
SCHEMBL22884099 0.84 KDM4E (0.41) ATMMEN1KMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 US 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-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 ATM 3428/4885MEN1 200/4885KMT2A 878/4885

“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.