SCHEMBL11023993

SCHEMBL11023993

N#Cc1cnc(C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HCAR2 Q8TDS4 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 5/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
CHEK1 O14757 6/20 0.40
KDR P35968 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
PDPK1 O15530 1/20 0.40
DYRK3 O43781 1/20 0.40
MAP4K4 O95819 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40
NEK4 P51957 1/20 0.40
CSNK2A1 P68400 1/20 0.40

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
SCHEMBL5037271 0.86 SIRT6 (0.57) CHEK1KDRGSK3AGSK3BPDPK1
SCHEMBL27818231 0.85 CHEK1 (0.40) CHEK1KDRGSK3AGSK3BPDPK1
Water SCHEMBL28665454 0.82 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
Water SCHEMBL336347 0.82 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL24724182 0.82 KCNJ1 (0.40) CHEK1KDRGSK3AGSK3BPDPK1
SCHEMBL70035 0.79 KDM4E (0.59) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL30859509 0.77 P4HTM (0.44) KDM4EHCAR2NAPRTP4HTMP4HA1
Iodide SCHEMBL6129698 0.77 KDM4E (0.52) KDM4EHCAR2NAPRTP4HTMP4HA1
Water SCHEMBL6129699 0.77 KDM4E (0.52) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL7767700 0.77 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1

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 26 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
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 WO disclosed
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-103328486-B Fused aminodihydrothiazine derivatives useful as bace inhibitors 卫材R&D管理有限公司 2016-08-17 CN disclosed
EP-2665732-B1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MAN CO LTD (JP) 2016-03-30 EP disclosed
US-9181232-B2 Difluoro-hexahydro-cyclopentaoxazinyls and difluoro-hexahydro-benzooxazinyls as BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-11-10 US disclosed
EP-2665732-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2013-11-27 EP disclosed
US-8592408-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-11-26 US disclosed
CN-103328486-A Fused aminodihydrothiazine derivatives useful as BACE inhibitors EISAI R&D MAN CO LTD 2013-09-25 CN disclosed
US-20130203740-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 US disclosed
US-8338407-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-12-25 US disclosed
WO-2012098213-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES USEFUL AS BACE INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
US-20120190672-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 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 (3 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-20130203740-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.