SCHEMBL21391948

SCHEMBL21391948

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALOX15 P16050 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
OPRK1 P41145 1/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.30
HPGD P15428 3/20 0.30
TP53 P04637 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
SCHEMBL21477950 0.99 ALOX15 (0.35) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL21658434 0.97 ALOX15 (0.35) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL22908061 0.97 ALOX15 (0.35) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL21658425 0.96 TSHR (0.34) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL21477957 0.95 ADORA3 (0.33) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL23814865 0.95 ALOX15 (0.35) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL21658382 0.95 ALOX15 (0.35) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL21658424 0.94 ADORA3 (0.33) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL21658516 0.94 ADORA3 (0.33) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL22908274 0.93 L3MBTL1 (0.33) TSHRALOX15ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20210288260-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-09-16 US disclosed
US-20210143344-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-05-13 US disclosed
US-20210020842-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 US disclosed
WO-2019190248-A9 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-04-02 WO disclosed
WO-2020022771-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2020-01-30 WO disclosed
WO-2020022768-A1 ORGANIC LIGHT EMITTING DIODE 주식회사 엘지화학 2020-01-30 WO disclosed
WO-2019190235-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-10-03 WO disclosed
WO-2019190248-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-03 WO disclosed
WO-2019182411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-26 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-20210020842-A1 ORGANIC LIGHT-EMITTING DEVICE OR10J3, OR51E2, LOXL1 TSHR 2461/4885ALOX15 373/4885ADORA3 4367/4885

“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.