SCHEMBL20174452

SCHEMBL20174452

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4sc6ccccc6c4C54c5ccccc5-c5ccccc54)cc3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
HSP90AA1 P07900 1/20 0.34
TSHR P16473 2/20 0.32
ENPP1 P22413 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2B P29275 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
SLC9A1 P19634 1/20 0.32
ATM Q13315 2/20 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
SCHEMBL20174505 0.92 MEN1 (0.36) L3MBTL1ADORA2AADORA1F9ALOX5
SCHEMBL20174479 0.92 L3MBTL1 (0.32) L3MBTL1HSP90AA1TSHRADORA2AADORA1
SCHEMBL20174514 0.89 ADORA2A (0.30) ADORA2AADORA1F9ALOX5
SCHEMBL20174489 0.88 S1PR5 (0.37) L3MBTL1HSP90AA1TSHRALOX5ATM
SCHEMBL20174460 0.87 L3MBTL1 (0.35) L3MBTL1HSP90AA1TSHRADORA2AADORA1
SCHEMBL20179291 0.86 MEN1 (0.34) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL22326564 0.85 MEN1 (0.36) ADORA2AADORA1F9ALOX5SLC9A1
SCHEMBL20174456 0.85 MEN1 (0.36) ADORA2AADORA1F9ALOX5SLC9A1
SCHEMBL20174478 0.85 ALOX5 (0.34) L3MBTL1HSP90AA1ADORA2AADORA1ALOX5
SCHEMBL20174471 0.85 ALOX5 (0.33) L3MBTL1ADORA1ALOX5KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG L3MBTL1 2838/4885HSP90AA1 2901/4885TSHR 2800/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG L3MBTL1 2838/4885HSP90AA1 2901/4885TSHR 2800/4885

“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.