SCHEMBL14720682

SCHEMBL14720682

COC(=O)c1ncc(C#CCO)cc1N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.42
▸ BACE1 P56817 2/20 0.42
▸ BACE2 Q9Y5Z0 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ EGLN1 Q9GZT9 15/20 0.39
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ EGLN3 Q9H6Z9 1/20 0.35

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
SCHEMBL14721211 0.88 APP (0.46) APPBACE1BACE2EGLN1EGLN3
SCHEMBL14721110 0.82 ALDH1A1 (0.44) APPBACE1BACE2ALDH1A1EGLN1
SCHEMBL14720794 0.80 EGLN1 (0.40) APPEGLN1EGLN3
SCHEMBL24862547 0.77 ALDH1A1 (0.43) ALDH1A1EGLN1
SCHEMBL26101255 0.75 ALDH1A1 (0.40) APPALDH1A1EGLN1
SCHEMBL14720764 0.75 APP (0.44) APPEGLN1
SCHEMBL15494738 0.72 MAPK1 (0.53) ALDH1A1
SCHEMBL18124754 0.72 ATM (0.47) ALDH1A1
SCHEMBL21577270 0.71 KDM4E (0.55) ALDH1A1
SCHEMBL10206698 0.71 ALDH1A1 (0.42) APPBACE1BACE2ALDH1A1

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.

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