SCHEMBL4564805

SCHEMBL4564805

Brc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 2/20 0.66
AKT2 P31751 4/20 0.60
AKT1 P31749 3/20 0.60
ADRA1B P35368 1/20 0.48
NTRK1 P04629 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP7 Q93009 1/20 0.47
NR1I2 O75469 1/20 0.45
NR1I3 Q14994 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL10021266 1.00 NPC1 (0.66) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL13599904 0.90 AKT1 (0.66) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL19953862 0.90 AKT1 (0.66) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL5347018 0.90 NPC1 (0.66) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL22615103 0.90 NPC1 (0.61) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL24479406 0.87 AKT1 (0.63) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL22673418 0.87 AKT1 (0.63) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL25789353 0.87 AKT1 (0.63) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL15382793 0.87 AKT1 (0.63) NPC1RAB9AMAPTKDM4EAKT2
SCHEMBL24478955 0.86 AKT1 (0.61) NPC1RAB9AMAPTKDM4EAKT2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021114801-A1 IMIDAZOPYRIDINE-BASED ARYLAMINE COMPOUND AND USE THEREOF 广东阿格蕾雅光电材料有限公司 2021-06-17 WO disclosed
WO-2021103769-A1 COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE COMPOUND 广东阿格蕾雅光电材料有限公司 2021-06-03 WO disclosed
WO-2020228430-A1 IMIDAZO NITROGEN HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 广东阿格蕾雅光电材料有限公司 2020-11-19 WO disclosed
US-9780313-B2 Carbazole-based compound and organic light-emitting device including the same SASMSUNG DISPLAY CO., LTD. (KR) 2017-10-03 US disclosed
US-9780313-B2 Carbazole-based compound and organic light-emitting device including the same SASMSUNG DISPLAY CO., LTD. (KR) 2017-10-03 US disclosed
US-20160099424-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160099424-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
EP-2292601-B1 Phenanthro[2,3-b]pyrroles and Phenanthro[3,2-b]pyrroles for organic light-emitting devices SAMSUNG DISPLAY CO LTD (KR) 2015-07-01 EP disclosed
US-8889267-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2014-11-18 US disclosed
US-8889267-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2014-11-18 US disclosed
US-20100039029-A1 Organic Light Emitting Diode Including Light-Efficiency-Improvement Layer SAMSUNG DISPLAY CO., LTD. (KR) 2010-02-18 US disclosed
US-20100039029-A1 Organic Light Emitting Diode Including Light-Efficiency-Improvement Layer SAMSUNG DISPLAY CO., LTD. (KR) 2010-02-18 US disclosed
US-7622584-B2 Imidazopyridine-based compound and organic light emitting diode including organic layer comprising the imidazopyridine-based compound SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-11-24 US disclosed
US-7622584-B2 Imidazopyridine-based compound and organic light emitting diode including organic layer comprising the imidazopyridine-based compound SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-11-24 US disclosed
US-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-06-18 US disclosed
US-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-06-18 US disclosed
US-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-06-18 US disclosed
US-20080125593-A1 IMIDAZOPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING ORGANIC LAYER COMPRISING THE IMIDAZOPYRIDINE-BASED COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2008-05-29 US disclosed
US-20080125593-A1 IMIDAZOPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING ORGANIC LAYER COMPRISING THE IMIDAZOPYRIDINE-BASED COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2008-05-29 US disclosed
EP-1925618-A1 Imidazopyridine-based compounds and organic light emitting diode including organic layer comprising the imidazopyridine-based compounds Samsung SDI Co., Ltd. (KR) 2008-05-28 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-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same CCNE2, CCNC, CCNT1 NPC1 2205/4885RAB9A 3359/4885MAPT 4163/4885
US-20080125593-A1 IMIDAZOPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING ORGANIC LAYER COMPRISING THE IMIDAZOPYRIDINE-BASED COMPOUND OCIAD1, OCIAD2, OPRD1 NPC1 2550/4885RAB9A 2560/4885MAPT 436/4885
US-20160099424-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CYP2E1, CYP1B1 NPC1 1455/4885RAB9A 2067/4885MAPT 1677/4885

“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.