SCHEMBL1303359

SCHEMBL1303359

FC(F)(F)c1ccc(-c2cnc3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
BCHE P06276 1/20 0.62
PARP1 P09874 1/20 0.57
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
TOP1 P11387 3/20 0.54
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
MAPK10 P53779 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KIF11 P52732 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL30139976 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BCHEPARP1
SCHEMBL4954320 0.85 NPC1 (0.81) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL14278922 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL15110136 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL20032699 0.82 TLR9 (0.60) NPC1RAB9ASMN1; SMN2BCHEPARP1
SCHEMBL20032700 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL14730878 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL1976848 0.80 NPC1 (0.68) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL17634104 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2BCHEKDM4E
SCHEMBL24596471 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2BCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
CN-105873914-B Substituted quinoxaline derivatives as pest control agents 拜耳作物科学股份公司 2018-10-19 CN disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
WO-2016049099-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
EP-1973386-B1 LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2015-11-11 EP disclosed
US-20140034982-A1 LIGHT-EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-02-06 US disclosed
EP-2113133-B1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LAB (JP) 2013-04-24 EP disclosed
EP-2573075-A1 Light-emitting element, light-emitting device, electronic device, and quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-03-27 EP disclosed
US-8362472-B2 Light-emitting element, light-emitting device, electronic device and quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-01-29 US disclosed
US-8053980-B2 Light-emitting device and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-11-08 US disclosed
US-20110121721-A1 Light-Emitting Element, Light-Emitting Device, Electronic Device and Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-05-26 US disclosed
US-7875879-B2 Light-emitting element, light-emitting device, electronic device and quinoxaline derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-01-25 US disclosed
EP-2113133-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND QUINOXALINE DERIVATIVE Semiconductor Energy Laboratory Co, Ltd. (JP) 2009-11-04 EP disclosed
US-20090114926-A1 Light-emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-05-07 US disclosed
US-20080231177-A1 Light-Emitting Device and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-09-25 US disclosed
EP-1973386-A2 Light-emitting device and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-09-24 EP disclosed
US-20080217608-A1 Light-Emitting Element, Light-Emitting Device, Electronic Device and Quinoxaline Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-09-11 US disclosed
WO-2008102713-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND QUINOXALINE DERIVATIVE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-08-28 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 (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-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 NPC1 525/4885RAB9A 2939/4885SMN1; SMN2 3682/4885
US-20110121721-A1 Light-Emitting Element, Light-Emitting Device, Electronic Device and Quinoxaline Derivative SLC1A2, NQO1, KCNE1 NPC1 3991/4885RAB9A 2020/4885SMN1; SMN2 4468/4885

“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.