SCHEMBL14720728

SCHEMBL14720728

COCCc1cnc(C(=O)OC)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
MAPK1 P28482 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPKAPK2 P49137 5/20 0.38
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
TSHR P16473 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL14720969 0.87 APP (0.43) APPBACE1BACE2MAPK1MAPKAPK2
SCHEMBL30852257 0.83 NPSR1 (0.42) MAPK1NPSR1MAPKAPK2KDM4EALDH1A1
SCHEMBL14720919 0.78 NPSR1 (0.38) MAPK1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL28052421 0.77 MAPKAPK2 (0.38) APPBACE1BACE2MAPK1MAPKAPK2
SCHEMBL1680511 0.76 PLAU (0.53) MAPK1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL25399004 0.74 NPSR1 (0.47) MAPK1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12248189 0.74 NPSR1 (0.47) MAPK1NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL28225950 0.74 LMNA (0.39) APPBACE1BACE2MAPK1MAPKAPK2
SCHEMBL260853 0.73 NPSR1 (0.45) MAPK1NPSR1MAPKAPK2KDM4EALDH1A1
SCHEMBL29410004 0.73 NPSR1 (0.45) MAPK1NPSR1MAPKAPK2KDM4EALDH1A1

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 APP 5/4885BACE1 2/4885BACE2 1/4885
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 APP 5/4885BACE1 2/4885BACE2 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.