SCHEMBL992595

SCHEMBL992595

O=C(O)c1cnc(OC(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.44
KDM4E B2RXH2 4/20 0.38
HCAR2 Q8TDS4 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
ASPH Q12797 2/20 0.38
KDM8 Q8N371 1/20 0.38
P4HTM Q9NXG6 3/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
BACE1 P56817 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH2 Q12809 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL29005159 0.86 SIRT6 (0.42) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL16664326 0.86 SIRT6 (0.42) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL18496850 0.84 SIRT6 (0.40) SIRT6BACE1KCNH2BACE2
SCHEMBL9947622 0.81 SIRT6 (0.49) SIRT6KDM4EHCAR2NAPRTP4HTM
SCHEMBL1585317 0.81 MAPK1 (0.45) SIRT6KDM4EALDH1A1L3MBTL1MAPK1
SCHEMBL936961 0.79 SIRT6 (0.42) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL2645887 0.79 SIRT6 (0.50) SIRT6KDM4EHCAR2NAPRTASPH
SCHEMBL18401863 0.78 SIRT6 (0.42) SIRT6KDM4EASPHL3MBTL1MAPK1
SCHEMBL17495670 0.78 SIRT6 (0.42) SIRT6KDM4EASPHL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL17668830 0.77 SIRT6 (0.41) SIRT6KDM4EHCAR2NAPRTASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758393-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL)-AMIDES AS BACE1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP claimed
US-8476264-B2 N-(3-(2-amino-6,6-difluoro-4,4A,5,6,7,7A-hexahydro-cyclopenta[E][1,3]oxazin-4-yl)-phenylamides as BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-07-02 US claimed
WO-2013041499-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL)-AMIDES AS BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO claimed
US-20130072478-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL-AMIDES AS BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-21 US claimed
US-10696691-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-06-30 US disclosed
US-20190270757-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-05 US disclosed
EP-3334742-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides PFIZER INC. (US) 2019-04-09 US disclosed
US-10246468-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-04-02 US disclosed
US-20190002476-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2019-01-03 US disclosed
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides PFIZER INC. (US) 2018-10-30 US disclosed
EP-3204391-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2018-08-29 EP disclosed
CN-101910143-A Fused Aminodihydrothiazine Derivatives EISAI R&D MAN CO LTD 2010-12-08 CN disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (9 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP SIRT6 2728/4885KDM4E 2321/4885HCAR2 1955/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SIRT6 2744/4885KDM4E 1726/4885HCAR2 1850/4885
US-10696691-B2 BACE1 inhibitors BACE1, BACE2, APP SIRT6 1396/4885KDM4E 3126/4885HCAR2 3603/4885
US-10246468-B2 BACE1 inhibitors BACE1, BACE2, APP SIRT6 1384/4885KDM4E 3184/4885HCAR2 3584/4885
US-20130072478-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL-AMIDES AS BACE1 INHIBITORS BACE1, BACE2, PSEN1 SIRT6 717/4885KDM4E 619/4885HCAR2 2714/4885
US-20190270757-A1 BACE1 INHIBITORS BACE1, BACE2, APP SIRT6 1396/4885KDM4E 3126/4885HCAR2 3603/4885
US-20190002476-A1 BACE1 INHIBITORS BACE1, BACE2, APP SIRT6 1396/4885KDM4E 3126/4885HCAR2 3603/4885
US-10112958-B2 N-[2-(2-amino-6,6-disubstituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-YL)-1,3-thiazol-4-YL] amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UGT1A8, TBXA2R SIRT6 2911/4885KDM4E 2961/4885HCAR2 1428/4885
US-10253042-B2 N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]oxazin-8a(8H)-YL)-thiazol-4-YL) amides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, NPY4R SIRT6 2839/4885KDM4E 1487/4885HCAR2 1633/4885

“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.