SCHEMBL21716378

SCHEMBL21716378

c1cc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)c3ccccc3n2)cc(-n2c3ccccc3c3cc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc4cc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GSR P00390 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
VDR P11473 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
AHR P35869 1/20 0.31
NR1I3 Q14994 1/20 0.31
ADORA2A P29274 1/20 0.30
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL21717584 0.98 ATM (0.37) ATMMEN1KMT2AGSRABCG2
SCHEMBL21213665 0.94 ATM (0.39) ATMMEN1KMT2AABCG2AURKA
SCHEMBL21717275 0.94 MEN1 (0.34) ATMMEN1KMT2AABCG2
SCHEMBL21716391 0.94 MEN1 (0.35) ATMMEN1KMT2AABCG2AURKA
SCHEMBL21716265 0.91 GSR (0.39) ATMMEN1KMT2AGSRKDM4E
SCHEMBL21716560 0.89 AURKA (0.33) ATMMEN1KMT2AGSRABCG2
SCHEMBL21213299 0.89 ATM (0.41) ATMMEN1KMT2AABCG2AURKA
SCHEMBL21716819 0.89 GSR (0.36) ATMMEN1KMT2AGSRKDM4E
SCHEMBL21213901 0.89 ATM (0.41) ATMMEN1KMT2AABCG2AURKA
SCHEMBL21716953 0.87 ATM (0.38) ATMMEN1KMT2AABCG2AURKA

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
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 (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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 ATM 3428/4885MEN1 200/4885KMT2A 878/4885
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.