SCHEMBL991920

SCHEMBL991920

O=C(O)c1ccc(OCF)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 12/20 0.63
P4HA1 P13674 1/20 0.50
MIF P14174 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL1173450 0.86 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL19309297 0.84 KMT2A (0.50) P4HTMKMT2ATSHRCYP4F2CYP4A11
SCHEMBL1403507 0.81 P4HTM (0.63) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL287075 0.81 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL991921 0.81 MAPK1 (0.57) P4HTMKDM4EALDH1A1L3MBTL1MAPK1
SCHEMBL1174077 0.81 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL16462187 0.80 P4HTM (0.54) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL17741237 0.80 BACE1 (0.43) P4HTMTSHRHTTSMN1; SMN2
SCHEMBL20423660 0.79 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11388128 0.79 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1

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 132 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
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US claimed
US-8754075-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-17 US claimed
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2014-05-08 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
EP-2663308-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2013-11-20 EP 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
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
US-11447478-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-09-20 US disclosed
EP-3180330-B1 2,2,2-TRIFLUOROETHYL-THIADIAZINES HOFFMANN LA ROCHE (CH) 2021-03-03 EP disclosed
CN-106459006-B 2,2, 2-trifluoroethyl-thiadiazines 豪夫迈·罗氏有限公司 2020-02-11 CN 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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 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 (7 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-11447478-B2 BACE1 inhibitors BACE1, BACE2, APP P4HTM 2486/4885P4HA1 1324/4885MIF 942/4885
US-20140128385-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS BACE2, BACE1, IAPP P4HTM 2175/4885P4HA1 2487/4885MIF 4329/4885
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors BACE2, BACE1, PSEN1 P4HTM 1357/4885P4HA1 408/4885MIF 2995/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 P4HTM 2590/4885P4HA1 1432/4885MIF 4196/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 P4HTM 1357/4885P4HA1 408/4885MIF 2995/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C P4HTM 1546/4885P4HA1 903/4885MIF 2323/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 P4HTM 1357/4885P4HA1 408/4885MIF 2995/4885

“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.