SCHEMBL14720971

SCHEMBL14720971

N#Cc1ncc(OCC(F)F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 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
SCHEMBL361800 0.82 ALDH1A1 (0.39) SLC22A12KDM4EALDH1A1POLBCYP11B1
SCHEMBL362452 0.81 SLC22A12 (0.38) SLC22A12KDM4EALDH1A1POLB
SCHEMBL27291556 0.75 NPC1 (0.42) KDM4EALDH1A1POLBCYP11B1CYP11B2
SCHEMBL1006358 0.75 MAPT (0.46) SLC22A12KDM4EALDH1A1POLBCYP11B1
SCHEMBL17394954 0.73 NAAA (0.44)
SCHEMBL10324932 0.71 SLC22A12 (0.38) SLC22A12KDM4EALDH1A1POLB
SCHEMBL14721176 0.71 BACE1 (0.41)
SCHEMBL27291632 0.71 SLC22A12 (0.50) SLC22A12KDM4EALDH1A1POLB
SCHEMBL11167087 0.70 ALDH1A1 (0.46) SLC22A12KDM4EALDH1A1POLBCYP11B2
SCHEMBL22497952 0.70 PDE8A (0.34)

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 SLC22A12 717/4885KDM4E 3301/4885ALDH1A1 252/4885
US-20150150877-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BACE2, BACE1, PSEN1 SLC22A12 717/4885KDM4E 3301/4885ALDH1A1 252/4885

“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.