SCHEMBL1974309

SCHEMBL1974309

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nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GALR3 O60755 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1976718 0.86 ALDH1A1 (0.41) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL4083097 0.86 ALDH1A1 (0.41) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL1973840 0.81 FBP1 (0.36) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL1973842 0.81 FBP1 (0.36) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL1973839 0.81 FBP1 (0.36) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL1974703 0.81 PDK1 (0.46) MEN1KMT2AALDH1A1PDK1PDK2
SCHEMBL1975937 0.78 HTT (0.43) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL1975940 0.78 HTT (0.43) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL4074382 0.76 ALDH1A1 (0.42) HTTMEN1KMT2AL3MBTL1GALR3
SCHEMBL14703687 0.73 BACE1 (0.42) BACE1PDK1PDK2PDK3PDK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US 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 (1 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-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP HTT 953/4885MEN1 4450/4885KMT2A 1278/4885

“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.