Sugi Predict

Sugi Predict / Compounds / SCHEMBL21295763

SCHEMBL21295763

SCHEMBL21295763

Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.71
▸ NR1H3 Q13133 4/20 0.58
▸ NR1H2 P55055 3/20 0.58
▸ LMNA P02545 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ CTRC Q99895 1/20 0.55
▸ DPP4 P27487 1/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ ADORA3 P0DMS8 2/20 0.51
▸ ADORA2A P29274 2/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ PDE5A O76074 1/20 0.50

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
SCHEMBL23624501 1.00 CYP1A2 (0.71) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL29379884 1.00 CYP1A2 (0.71) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL15796875 1.00 CYP1A2 (0.71) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL17655924 1.00 CYP1A2 (0.71) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL30986821 1.00 CYP1A2 (0.71) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL20894736 0.98 CYP1A2 (0.67) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL9889000 0.98 CYP1A2 (0.67) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL25825101 0.92 CYP1A2 (0.60) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL20894683 0.91 CYP1A2 (0.58) CYP1A2NR1H3NR1H2LMNAL3MBTL1
SCHEMBL17269507 0.90 NPC1 (0.65) CYP1A2NR1H3NR1H2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186065-A Organic compound and application thereof in organic electroluminescent device and panel 上海天马微电子有限公司 2023-12-08 — — CN disclosed
US-20230320207-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-10-05 — — US disclosed
US-20230320207-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-10-05 — — US disclosed
WO-2021230690-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 — — WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 — — WO 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-20230320207-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, EPCAM, NECTIN4 CYP1A2 3800/4885NR1H3 2950/4885NR1H2 3472/4885

“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.