SCHEMBL17714741

SCHEMBL17714741

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7-c7ccccc7)cc6)c5c4)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGER4 P35408 1/20 0.34
TSPO P30536 1/20 0.33
HDAC4 P56524 1/20 0.33
PDE6D O43924 1/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
NPY5R Q15761 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK14 Q16539 1/20 0.31
NR3C1 P04150 1/20 0.31
AVPR1A P37288 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
SCHEMBL17714935 0.97 KDM4E (0.39) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL22596099 0.94 KDM4E (0.39) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL22672134 0.92 KDM4E (0.37) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL23118935 0.92 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL22672359 0.92 ATM (0.42) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL23119017 0.92 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL17714968 0.92 KDM4E (0.42) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL27317762 0.91 KDM4E (0.41) KDM4EATML3MBTL1PTGER4TSPO
SCHEMBL22596315 0.91 KDM4E (0.38) KDM4EATML3MBTL1PTGER4HDAC4
SCHEMBL21655832 0.91 KDM4E (0.45) KDM4EATML3MBTL1PTGER4TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111231-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-09-07 US disclosed
EP-3015465-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-04 EP disclosed
US-20190127352-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-02 US disclosed
US-10253016-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2019-04-09 US disclosed
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2016-07-14 US disclosed
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2016-07-14 US disclosed
EP-3015465-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2016-05-04 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 (4 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-10253016-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885
US-11111231-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885
US-20190127352-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, NR2E3 KDM4E 1531/4885ATM 2327/4885L3MBTL1 699/4885

“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.