SCHEMBL20370753

SCHEMBL20370753

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4nc6ccccc6nc4S5)c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ USP2 O75604 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
SCHEMBL20370705 0.86 L3MBTL1 (0.37) ADORA2AADORA1L3MBTL1ALOX15TSHR
SCHEMBL20370722 0.85 MAPT (0.35) L3MBTL1TSHRALDH1A1MAPTHPGD
SCHEMBL20370719 0.84 MET (0.34) ADORA2AADORA1L3MBTL1ALOX15TSHR
SCHEMBL16441407 0.81 MEN1 (0.47) ADORA2AADORA1L3MBTL1MEN1KMT2A
SCHEMBL20370738 0.80 MAPT (0.31) MAPT
SCHEMBL20370720 0.79 PIK3CA (0.38) ADORA2AADORA1L3MBTL1MEN1KMT2A
SCHEMBL20370741 0.79 MEN1 (0.38) ADORA2AADORA1L3MBTL1ALOX15TSHR
SCHEMBL20370739 0.76 CYP1A2 (0.33) ADORA2AADORA1L3MBTL1ALOX15TSHR
SCHEMBL27276148 0.75 ALOX5 (0.42) ADORA2AADORA1L3MBTL1ALOX15TSHR
SCHEMBL27288437 0.75 ALOX5 (0.42) ADORA2AADORA1L3MBTL1ALOX15TSHR

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-10854823-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-01 — — US disclosed
US-20180198074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-12 — — US disclosed
US-20180198074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-12 — — 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-10854823-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CRY2, CYP1A1 ADORA2A 3180/4885ADORA1 2441/4885L3MBTL1 1179/4885
US-20180198074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CYP1A1 ADORA2A 3180/4885ADORA1 2441/4885L3MBTL1 1179/4885

“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.

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