SCHEMBL8513475

SCHEMBL8513475

Brc1ccnc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
MAPK1 P28482 1/20 0.42
NR1H4 Q96RI1 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL2679072 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL16210072 0.83 MEN1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL16320822 0.80 CYP2A6 (0.62) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL8891737 0.79 KDM4E (0.41) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL12441003 0.79 MEN1 (0.56) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL1104786 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL190954 0.77 AURKA (0.63) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL29620532 0.77 AURKA (0.63) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL18212399 0.77 KMT2A (0.53) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL8842447 0.76 KMT2A (0.72) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432096-B Compound derived from cis-stilbene/fluorene spirochete and photoelectric device thereof 彩丰精技股份有限公司 2021-03-30 CN disclosed
CN-110437153-A hepatitis B core protein allosteric modulators UNIV INDIANA RES & TECH CORP 2019-11-12 CN disclosed
CN-109311839-A Methylamine derivative is used for treating cancer as lysyl oxidase inhibitor 癌症研究协会皇家癌症医院 2019-02-05 CN disclosed
US-10193083-B2 Spirally configured cis-stilbene/fluorene hybrid compounds and organic light emitting device comprising the same NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-01-29 US disclosed
CN-104736537-B Organic luminescent compounds and the organic electroluminescent device for using it 株式会社斗山 2019-01-22 CN disclosed
CN-108884090-A Heterocyclic compound and the organic illuminating element for using it 喜星素材株式会社 2018-11-23 CN disclosed
CN-108017644-A A kind of nitogen-contained heterocycle derivant and its application 北京鼎材科技有限公司 2018-05-11 CN disclosed
CN-107602468-A One kind contains anthracene compound and its synthetic method and organic luminescent device 长春海谱润斯科技有限公司 2018-01-19 CN disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-9324954-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-04-26 US disclosed
CN-105392778-A Polycyclic compound and organic light emitting device using the same HEESUNG MAT LTD 2016-03-09 CN disclosed
CN-105358533-A Heterocyclic compound and organic light-emitting device using the same HEESUNG MAT LTD 2016-02-24 CN disclosed
CN-104736537-A Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORP 2015-06-24 CN disclosed
CN-104086488-A Synthetic method of 2,4,6-tri-substituted pyrimidine compounds UNIV HENAN NORMAL 2014-10-08 CN disclosed
US-20130240796-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmnH (DE) 2013-09-19 US disclosed
CN-103228647-A Materials for organic electroluminescent devices MERCK PATENT GMBH 2013-07-31 CN disclosed
CN-102656164-A Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMA 2012-09-05 CN disclosed
WO-2012069121-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-31 WO disclosed
US-5626791-A FERROELECTRIC LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 NPC1 2710/4885RAB9A 3355/4885SMN1; SMN2 741/4885
US-10193083-B2 Spirally configured cis-stilbene/fluorene hybrid compounds and organic light emitting device comprising the same SLCO2B1, SLCO4C1, SLCO1B1 NPC1 284/4885RAB9A 767/4885SMN1; SMN2 2958/4885

“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.