SCHEMBL20174564

SCHEMBL20174564

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5c4sc4ccccc54)c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
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
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
SCHEMBL20174635 0.93 SLC9A1 (0.32) SLC9A1ADORA2AADORA1F9
SCHEMBL20174577 0.93 ADORA2A (0.32) SLC9A1ADORA2AADORA1F9ALOX5
SCHEMBL20174599 0.91 ALOX5 (0.32) ADORA2AADORA1F9ALOX5L3MBTL1
SCHEMBL20174597 0.91 MEN1 (0.37) SLC9A1ADORA2AADORA1ALOX5KDM4E
SCHEMBL20174591 0.90 L3MBTL1 (0.33) SLC9A1ADORA2AADORA1TSHRADORA3
SCHEMBL22326555 0.89 LIMK1 (0.30)
SCHEMBL20179344 0.89 KDM4E (0.32) SLC9A1F9TSHRL3MBTL1KDM4E
SCHEMBL20174737 0.89 PDK2 (0.36) SLC9A1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL20174602 0.89 PDK2 (0.36) SLC9A1L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL19008468 0.88 MEN1 (0.35) SLC9A1ADORA2AADORA1L3MBTL1KDM4E

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 SLC9A1 3444/4885ADORA2A 3056/4885ADORA1 3578/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG SLC9A1 3444/4885ADORA2A 3056/4885ADORA1 3578/4885

“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.