SCHEMBL21756052

SCHEMBL21756052

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 8/20 0.42
ALOX5 P09917 1/20 0.40
LIMK1 P53667 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
KCNH2 Q12809 1/20 0.32
BRDT Q58F21 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 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
SCHEMBL24217177 1.00 PRKDC (0.42) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24217295 0.97 PRKDC (0.43) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL25627155 0.97 PRKDC (0.43) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24264255 0.97 PRKDC (0.43) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24264112 0.97 PRKDC (0.43) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL25627444 0.97 PRKDC (0.43) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL25627449 0.97 PRKDC (0.43) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL22352514 0.97 PRKDC (0.44) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL22330037 0.97 PRKDC (0.44) PRKDCALOX5LIMK1PIK3CDPIK3CB
SCHEMBL24217168 0.97 ALOX5 (0.43) PRKDCALOX5LIMK1PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257586-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-10-11 EP disclosed
US-20230301183-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-09-21 US disclosed
US-20230301183-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-09-21 US disclosed
US-20230263054-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-08-17 US disclosed
US-20230263054-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-08-17 US disclosed
US-20230172065-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-06-01 US disclosed
US-20230172065-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-06-01 US disclosed
US-11515484-B2 Heterocyclic compound and organic light emitting element comprising same LT MATERIALS CO., LTD. (KR) 2022-11-29 US disclosed
WO-2022025714-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2022-02-03 WO disclosed
WO-2022015084-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2022-01-20 WO disclosed
US-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2021-09-09 US disclosed
US-20200266355-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-08-20 US disclosed
EP-3683217-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT Materials Co., Ltd. (KR) 2020-07-22 EP disclosed
WO-2020040571-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 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 (5 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-11515484-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, CYP1A1 PRKDC 4595/4885ALOX5 751/4885LIMK1 547/4885
US-20200266355-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 PRKDC 4595/4885ALOX5 751/4885LIMK1 547/4885
US-20210280800-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, AOX1, CYBA PRKDC 4094/4885ALOX5 497/4885LIMK1 129/4885
US-20230172065-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CYP1A2, CYP1A1 PRKDC 3767/4885ALOX5 1552/4885LIMK1 674/4885
US-20230301183-A1 ORGANIC LIGHT EMITTING DEVICE CRY1, CRY2, CYP1A1 PRKDC 3471/4885ALOX5 1931/4885LIMK1 201/4885

“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.