SCHEMBL20404952

SCHEMBL20404952

N=C(/C=C\C(=N)c1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 2/20 0.34

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
SCHEMBL18819259 0.88 PTGS2 (0.39) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL25861653 0.87 ADORA3 (0.40) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL25861647 0.86 ADORA2A (0.39) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL25861649 0.85 WDR5 (0.39) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL20405029 0.84 ADORA2A (0.43) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL20407276 0.84 ALOX15 (0.39) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL20405146 0.80 MAPT (0.35) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL18819551 0.80 MAPT (0.35) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL24689432 0.79 L3MBTL1 (0.52) TSHRADORA2AADORA3ADORA2BADORA1
SCHEMBL17720965 0.79 L3MBTL1 (0.52) TSHRADORA2AADORA3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737357-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. 2023-08-22 — — US disclosed
US-11737357-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. 2023-08-22 — — US disclosed
EP-3351537-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2023-01-18 — — EP disclosed
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
US-10367149-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2019-07-30 — — US disclosed
US-20190055222-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-02-21 — — US disclosed
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
EP-3351537-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-25 — — EP 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 (3 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-11737357-B2 Compound and organic light-emitting device comprising same CRY1, CYP1B1, CYP1A1 TSHR 4427/4885ADORA2A 3838/4885ADORA3 3771/4885
US-10367149-B2 Organic light-emitting device CRY1, PPOX, CRY2 TSHR 3334/4885ADORA2A 4172/4885ADORA3 4085/4885
US-20190055222-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1B1, CYP1A1 TSHR 4427/4885ADORA2A 3838/4885ADORA3 3771/4885

“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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