SCHEMBL26458064

SCHEMBL26458064

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c3C43c4ccccc4Oc4ccccc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 5/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 4/20 0.32
MAPT P10636 3/20 0.32
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 2/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL22216541 0.96 TSHR (0.38) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL22216694 0.96 TSHR (0.35) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL26458468 0.95 TSHR (0.37) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL26458063 0.94 ADORA3 (0.32) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL26458446 0.94 MEN1 (0.40) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL26458441 0.94 ADORA3 (0.32) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL26458065 0.94 MEN1 (0.40) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL22216510 0.94 ADORA3 (0.36) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL22216675 0.94 TSHR (0.33) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL26458711 0.92 ADORA3 (0.33) TSHRADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11641778-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-05-02 US disclosed
US-11641778-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-05-02 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 (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-11641778-B2 Compound and organic light emitting device comprising same CRY1, CYP1A1, CRY2 TSHR 4342/4885ADORA3 3450/4885ADORA2A 3590/4885

“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.