SCHEMBL14720893

SCHEMBL14720893

Nc1nc(OCF)cnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.40
APP P05067 8/20 0.40
BACE2 Q9Y5Z0 8/20 0.40
PLAU P00749 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1B1 P15121 1/20 0.32
CTSD P07339 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
SIRT6 Q8N6T7 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
SCHEMBL14720961 0.87 BACE1 (0.42) BACE1APPBACE2PLAUMEN1
SCHEMBL10322066 0.86 BACE1 (0.43) BACE1APPBACE2PLAUMEN1
SCHEMBL10321286 0.83 L3MBTL1 (0.50) BACE1APPBACE2MEN1KMT2A
SCHEMBL14720590 0.83 BACE1 (0.43) BACE1APPBACE2PLAUMEN1
SCHEMBL14720653 0.81 BACE1 (0.41) BACE1APPBACE2PLAUMEN1
SCHEMBL8516151 0.80 BACE1 (0.43) BACE1APPBACE2CTSDSIRT6
SCHEMBL10325119 0.80 POLB (0.35) BACE1PLAUMEN1KMT2A
SCHEMBL360918 0.79 SIRT6 (0.47) BACE1PLAUSIRT6
SCHEMBL14720953 0.78 PLAU (0.32) BACE1APPBACE2PLAUMEN1
SCHEMBL10325550 0.75 NNMT (0.43) BACE1PLAUMEN1KMT2AAKR1B1

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 14 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 claimed
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 claimed
US-9163011-B2 Oxazine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-10-20 US claimed
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2015-06-04 US claimed
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 claimed
US-20130172331-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG 2013-07-04 US claimed
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 claimed
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 BACE1 2/4885APP 5/4885BACE2 1/4885
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 BACE1 2/4885APP 5/4885BACE2 1/4885

“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.