SCHEMBL14720510

SCHEMBL14720510

COC(=O)c1ncc(C(C)=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 5/20 0.42
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
S1PR4 O95977 2/20 0.38
S1PR3 Q99500 1/20 0.38
ATM Q13315 1/20 0.38
P2RY12 Q9H244 1/20 0.38
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
ACLY P53396 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3655489 0.90 MAPK1 (0.47) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1
SCHEMBL8883897 0.87 KDM4E (0.47) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1
SCHEMBL31338972 0.87 MAPK1 (0.41) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1
SCHEMBL31338967 0.87 MAPK1 (0.41) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1
SCHEMBL31338988 0.85 NNMT (0.42) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1
SCHEMBL31338984 0.85 NNMT (0.42) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1
SCHEMBL1420843 0.81 S1PR4 (0.46) ALDH1A1NPSR1L3MBTL1MAPTPOLB
SCHEMBL29796660 0.81 S1PR4 (0.46) ALDH1A1NPSR1L3MBTL1MAPTPOLB
SCHEMBL24661703 0.79 ATM (0.47) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1
SCHEMBL15900223 0.79 NPSR1 (0.42) ALDH1A1MAPK1NPSR1KDM4EL3MBTL1

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 ALDH1A1 252/4885MAPK1 1551/4885NPSR1 2076/4885
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 ALDH1A1 252/4885MAPK1 1551/4885NPSR1 2076/4885

“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.