SCHEMBL20174577

SCHEMBL20174577

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4c(sc6ccccc46)C54c5ccccc5-c5ccccc54)c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
F9 P00740 1/20 0.31
ALOX5 P09917 1/20 0.31
TSHR P16473 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ALOX15 P16050 1/20 0.31
ADORA2B P29275 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SLC9A1 P19634 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
ATM Q13315 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
SCHEMBL20174599 0.98 ALOX5 (0.32) ADORA2AADORA1F9ALOX5L3MBTL1
SCHEMBL20174580 0.93 MAPT (0.36) ADORA2AADORA1F9ALOX5KDM4E
SCHEMBL20174564 0.93 SLC9A1 (0.33) ADORA2AADORA1F9ALOX5TSHR
SCHEMBL20179344 0.91 KDM4E (0.32) F9TSHRL3MBTL1SLC9A1KDM4E
SCHEMBL20174608 0.91 MEN1 (0.37) ADORA2AADORA1ALOX5KDM4EALDH1A1
SCHEMBL20174642 0.91 MEN1 (0.36) ADORA2AADORA1KDM4EALDH1A1MAPT
SCHEMBL20174621 0.91 MEN1 (0.37) ADORA2AADORA1ALOX5KDM4EALDH1A1
SCHEMBL20174579 0.89 MEN1 (0.37) ADORA2AADORA1F9SLC9A1KDM4E
SCHEMBL22326584 0.88 S1PR5 (0.36) TSHRL3MBTL1KDM4EALDH1A1TP53
SCHEMBL20174610 0.88 MEN1 (0.36) ADORA2AADORA1F9SLC9A1KDM4E

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 ADORA2A 3056/4885ADORA1 3578/4885F9 2995/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG ADORA2A 3056/4885ADORA1 3578/4885F9 2995/4885

“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.