SCHEMBL1659677

SCHEMBL1659677

FCc1ccc(C(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.41
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NOTUM Q6P988 1/20 0.31
TEAD1 P28347 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1338455 0.78 HRH3 (0.35) ESR1ESR2TSHRTDP1
SCHEMBL662302 0.78 PGK1 (0.38) DAOPGK1PGK2MRGPRX4NOTUM
SCHEMBL15018988 0.76 DAO (0.40) DAOPGK1PGK2MRGPRX4MBOAT4
SCHEMBL21777546 0.76 LOXL2 (0.52)
SCHEMBL29149342 0.76 PGK1 (0.38) DAOPGK1PGK2MRGPRX4MBOAT4
SCHEMBL17092743 0.76 CA1 (0.38) DAOPGK1PGK2MRGPRX4MBOAT4
SCHEMBL472558 0.76 TSHR (0.43) DAOPGK1PGK2MRGPRX4PTGS1
SCHEMBL3714185 0.76 TSHR (0.54) DAOTSHRMAPK1ATMTDP1
SCHEMBL12630648 0.76 IDO1 (0.52) PTGS1PTGS2L3MBTL1
SCHEMBL17801401 0.76 DAO (0.36) DAOPGK1PGK2MRGPRX4MBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
EP-1807396-B1 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2013-06-26 EP disclosed
US-7932275-B2 Suppressing production of amyloid beta Merck, Sharp & Dohme Corp. (US) 2011-04-26 US disclosed
EP-1807396-A4 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO INC (US) 2009-09-09 EP disclosed
US-20080161363-A1 2-Aminopyridine Compounds Useful as Beta-Secretase Inhibitors For the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
EP-1807396-A1 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-07-18 EP disclosed
US-7173159-B2 Method for synthesizing TFPX YUAN-SHIN MATERIALS TECHNOLOGY CORP. (TW) 2007-02-06 US disclosed
US-6942966-B1 libraries formed by permutations; combinatorial chemistry; drug screening ISIS PHARMACEUTICALS, INC. (US) 2005-09-13 US disclosed
US-6559303-B1 Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical ISIS PHARMACEUTICALS, INC. 2003-05-06 US disclosed
EP-1212054-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2002-06-12 EP disclosed
WO-2001007023-A2 AZETIDINE COMPOUNDS IN CNS AND EYE DISEASES VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 WO disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
EP-0710235-A4 1996-06-12 EP disclosed
EP-0711271-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
EP-0710235-A1 ENDOTHELIN ANTAGONISTS MERCK & CO. INC. (US) 1996-05-08 EP disclosed
WO-1995004027-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 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-20080161363-A1 2-Aminopyridine Compounds Useful as Beta-Secretase Inhibitors For the Treatment of Alzheimer's Disease BACE1, BACE2, APP DAO 786/4885PGK1 1225/4885PGK2 1300/4885

“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.