SCHEMBL991478

SCHEMBL991478

O=C(O)c1cnc(CF)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HCAR2 Q8TDS4 2/20 0.42
NAPRT Q6XQN6 2/20 0.42
P4HTM Q9NXG6 7/20 0.42
ASPH Q12797 2/20 0.41
KDM8 Q8N371 1/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SIRT6 Q8N6T7 2/20 0.39
ALOX15 P16050 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL23680085 0.81 KDM4E (0.43) KDM4EHCAR2NAPRTP4HTMASPH
SCHEMBL20121341 0.79 SIRT6 (0.44) KDM4EHCAR2NAPRTP4HTMASPH
SCHEMBL30954340 0.79 KDM4E (0.44) KDM4EHCAR2NAPRTP4HTMASPH
SCHEMBL16598220 0.79 KDM4E (0.44) KDM4EHCAR2NAPRTP4HTMASPH
SCHEMBL1760254 0.79 KDM4E (0.43) KDM4EHCAR2NAPRTP4HTMASPH
SCHEMBL70035 0.79 KDM4E (0.59) KDM4EHCAR2NAPRTP4HTMASPH
Hydrochloric Acid SCHEMBL7428212 0.78 KDM4E (0.42) KDM4EHCAR2NAPRTP4HTMASPH
SCHEMBL6917612 0.77 MAPK1 (0.47) KDM4EALDH1A1SIRT6HPGDHSD17B10
SCHEMBL27940310 0.77 AGBL2 (0.38) KDM4ENAPRTP4HTMALDH1A1HSD17B10
SCHEMBL7767700 0.77 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470915-B Difluoro-hexahydro-cyclopentoxazines and difluoro-hexahydro-benzoxazines as BACE1 inhibitors 霍夫曼-拉罗奇有限公司 2019-07-26 CN claimed
EP-2864324-B1 DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-28 EP claimed
US-9181232-B2 Difluoro-hexahydro-cyclopentaoxazinyls and difluoro-hexahydro-benzooxazinyls as BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-10 US claimed
US-20150133440-A1 DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-05-14 US claimed
EP-2864324-A1 DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-29 EP claimed
CN-104470915-A Difluoro-hexahydro-cyclopentoxazines and difluoro-hexahydro-benzoxazines as BACE1 inhibitors HOFFMANN LA ROCHE 2015-03-25 CN claimed
WO-2014001228-A1 DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-03 WO claimed
CN-104470915-B Difluoro-hexahydro-cyclopentoxazines and difluoro-hexahydro-benzoxazines as BACE1 inhibitors 霍夫曼-拉罗奇有限公司 2019-07-26 CN disclosed
EP-2864324-B1 DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-28 EP disclosed
CN-106632401-A Methods and compounds for the synthesis of fused aminodihydrothiazine derivatives 卫材R&D管理有限公司 2017-05-10 CN disclosed
EP-2807155-B1 FLUOROMETHYL-5,6-DIHYDRO-4H-[1,3]OXAZINES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-2665716-B1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2017-03-08 EP disclosed
EP-2665716-B1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2017-03-08 EP disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
WO-2012100179-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
EP-2456774-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 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-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 KDM4E 655/4885HCAR2 2437/4885NAPRT 3696/4885
US-20150133440-A1 DIFLUORO-HEXAHYDRO-CYCLOPENTAOXAZINYLS AND DIFLUORO-HEXAHYDRO-BENZOOXAZINYLS AS BACE1 INHIBITORS BACE1, BACE2, PSEN1 KDM4E 1439/4885HCAR2 2682/4885NAPRT 1851/4885

“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.