SCHEMBL991368

SCHEMBL991368

O=C(O)c1cnc(OCF)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
KDM4E B2RXH2 4/20 0.39
NAPRT Q6XQN6 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ASPH Q12797 2/20 0.39
KDM8 Q8N371 1/20 0.39
P4HTM Q9NXG6 5/20 0.38
P4HA1 P13674 1/20 0.38
MIF P14174 1/20 0.38
ALDH1A1 P00352 2/20 0.37
BACE1 P56817 4/20 0.37
BACE2 Q9Y5Z0 3/20 0.37
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL31379016 1.00 SIRT6 (0.46) SIRT6KDM4ENAPRTHCAR2ASPH
SCHEMBL15476644 0.87 SIRT6 (0.62) SIRT6BACE1BACE2CYP2D6
SCHEMBL2108443 0.85 SIRT6 (0.43) SIRT6KDM4ENAPRTHCAR2ASPH
SCHEMBL17496554 0.84 SIRT6 (0.42) SIRT6KDM4ENAPRTHCAR2ASPH
SCHEMBL991588 0.81 MAPT (0.56) SIRT6KDM4ENAPRTHCAR2P4HTM
SCHEMBL31133136 0.80 L3MBTL1 (0.59) SIRT6ASPHBACE1BACE2L3MBTL1
SCHEMBL1992405 0.80 L3MBTL1 (0.59) SIRT6ASPHBACE1BACE2L3MBTL1
SCHEMBL936961 0.80 SIRT6 (0.42) SIRT6KDM4ENAPRTHCAR2ASPH
SCHEMBL991518 0.80 MAPK1 (0.46) SIRT6KDM4EALDH1A1BACE1BACE2
SCHEMBL7701640 0.80 SIRT6 (0.39) SIRT6BACE1BACE2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 US claimed
US-9115098-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMAN-LA ROCHE INC. (US) 2015-08-25 US claimed
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US claimed
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-8754075-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-17 US claimed
EP-2697208-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-02-19 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
WO-2012139993-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-18 WO claimed
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2012-10-11 US claimed
US-11629154-B2 Tetrahydropyranooxazine derivatives having selective BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2023-04-18 US disclosed
EP-3784674-B1 TETRAHYDROPYRANOOXAZINE DERIVATIVES HAVING SELECTIVE BACE1 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2023-02-22 EP disclosed
US-20210238194-A1 TETRAHYDROPYRANOOXAZINE DERIVATIVES HAVING SELECTIVE BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2021-08-05 US disclosed
EP-3784674-A1 TETRAHYDROPYRANOOXAZINE DERIVATIVES HAVING SELECTIVE BACE1 INHIBITORY ACTIVITY Shionogi & Co., Ltd (JP) 2021-03-03 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-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 (8 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 2321/4885NAPRT 2185/4885
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors BACE2, BACE1, PSEN1 SIRT6 1566/4885KDM4E 2102/4885NAPRT 2643/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SIRT6 2744/4885KDM4E 1726/4885NAPRT 1494/4885
US-11629154-B2 Tetrahydropyranooxazine derivatives having selective BACE1 inhibitory activity BACE1, APP, BACE2 SIRT6 2235/4885KDM4E 2467/4885NAPRT 1331/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 SIRT6 1566/4885KDM4E 2102/4885NAPRT 2643/4885
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 619/4885NAPRT 1700/4885
US-20210238194-A1 TETRAHYDROPYRANOOXAZINE DERIVATIVES HAVING SELECTIVE BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 SIRT6 2235/4885KDM4E 2467/4885NAPRT 1331/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 SIRT6 1566/4885KDM4E 2102/4885NAPRT 2643/4885

“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.