SCHEMBL14720827

SCHEMBL14720827

CC(C)(C)OC(=O)CNCCOc1cnc(C(=O)O)c(N)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
LATS1 O95835 1/20 0.32
LTA4H P09960 1/20 0.32
BACE1 P56817 3/20 0.31
BACE2 Q9Y5Z0 3/20 0.31
APP P05067 2/20 0.31
CTSD P07339 2/20 0.31
PLAU P00749 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14720828 0.78 PDK2 (0.38) BACE1BACE2APPCTSD
SCHEMBL8516151 0.74 BACE1 (0.43) BACE1BACE2APPCTSD
SCHEMBL14720961 0.73 BACE1 (0.42) BACE1BACE2APPCTSDPLAU
SCHEMBL14720653 0.73 BACE1 (0.41) BACE1BACE2APPCTSDPLAU
SCHEMBL10322066 0.72 BACE1 (0.43) BACE1BACE2APPCTSDPLAU
SCHEMBL14720953 0.71 PLAU (0.32) BACE1BACE2APPPLAU
SCHEMBL14720893 0.70 BACE1 (0.40) BACE1BACE2APPCTSDPLAU
SCHEMBL360918 0.69 SIRT6 (0.47) L3MBTL1BACE1PLAU
SCHEMBL10321286 0.69 L3MBTL1 (0.50) L3MBTL1BACE1BACE2APPMAPT
SCHEMBL972864 0.69 LATS1 (0.32) L3MBTL1LATS1LTA4HMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023423-B1 2 -AMINO-4 - (PYRIDIN- 2 -YL) - 5, 6 -DIHYDRO-4H- 1, 3 -OXAZINE DERIVATIVES AND THEIR USE AS BACE-1 AND/OR BACE - 2 INHIBITORS NOVARTIS AG (CH) 2017-05-31 EP disclosed
EP-3023423-A1 2 -AMINO-4 - (PYRIDIN- 2 -YL) - 5, 6 -DIHYDRO-4H- 1, 3 -OXAZINE DERIVATIVES AND THEIR USE AS BACE-1 AND/OR BACE - 2 INHIBITORS Novartis AG (CH) 2016-05-25 EP disclosed
US-9163011-B2 Oxazine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-10-20 US disclosed
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2015-06-04 US disclosed
EP-2748162-A1 2 -AMINO-4 - (PYRIDIN- 2 -YL) - 5, 6 -DIHYDRO-4H- 1, 3 -OXAZINE DERIVATIVES AND THEIR USE AS BACE-1 AND/OR BACE - 2 INHIBITORS Novartis AG (CH) 2014-07-02 EP disclosed
US-20130172331-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG 2013-07-04 US disclosed
WO-2013027188-A1 2 -AMINO-4 - (PYRIDIN- 2 -YL) - 5, 6 -DIHYDRO-4H- 1, 3 -OXAZINE DERIVATIVES AND THEIR USE AS BACE-1 AND/OR BACE - 2 INHIBITORS NOVARTIS AG (CH) 2013-02-28 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-20130172331-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 L3MBTL1 4677/4885LATS1 1588/4885LTA4H 1109/4885
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 L3MBTL1 4677/4885LATS1 1588/4885LTA4H 1109/4885

“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.