Sugi Predict

Sugi Predict / Compounds / SCHEMBL459180

SCHEMBL459180

SCHEMBL459180

O=C(O)c1ncccc1OCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ AGER Q15109 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CACNA1G O43497 3/20 0.43
▸ CACNA1H O95180 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ XBP1 P17861 1/20 0.41

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
SCHEMBL286831 0.86 SMN1; SMN2 (0.46) MAPTKDM4EL3MBTL1NPSR1ALDH1A1
SCHEMBL8882177 0.85 RXRA (0.48) ALDH1A1RXRARXRBRXRGPPIA
SCHEMBL1173445 0.83 L3MBTL1 (0.50) L3MBTL1ALDH1A1CYP1A2CACNA1GCACNA1H
SCHEMBL8516157 0.81 KDM4E (0.52) MAPTKDM4EL3MBTL1NPSR1ALDH1A1
SCHEMBL30368262 0.80 KDM4E (0.50) MAPTKDM4EL3MBTL1NPSR1ALDH1A1
SCHEMBL2301103 0.80 KDM4E (0.50) MAPTKDM4EL3MBTL1NPSR1ALDH1A1
SCHEMBL8881302 0.80 PPIA (0.58) RXRARXRBRXRGPPIA
SCHEMBL28028586 0.78 CACNA1H (0.46) MAPTKDM4EL3MBTL1NPSR1CYP1A2
SCHEMBL8515791 0.78 KDM4E (0.52) MAPTKDM4EL3MBTL1NPSR1ALDH1A1
SCHEMBL126180 0.78 MEN1 (0.54) MAPTKDM4EL3MBTL1NPSR1ALDH1A1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 — — US claimed
US-9115098-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMAN-LA ROCHE INC. (US) 2015-08-25 — — US claimed
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-08-28 — — US claimed
US-8754075-B2 1,3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-06-17 — — US claimed
EP-2697208-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-02-19 — — EP claimed
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 — — US claimed
WO-2012139993-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-18 — — WO claimed
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2012-10-11 — — US claimed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 — — US claimed
EP-2467368-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-06-27 — — EP claimed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 — — WO claimed
CN-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 — — CN disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 — — EP disclosed
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors HOFFMANN-LA ROCHE INC. 2015-11-12 — — US disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 — — EP 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-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-16 — — US disclosed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — WO disclosed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 — — WO disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 — — 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 (8 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-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP MAPT 61/4885KDM4E 2037/4885L3MBTL1 4524/4885
US-20140243325-A1 1,3-Oxazines as Bace1 and/or Bace2 Inhibitors BACE2, BACE1, PSEN1 MAPT 58/4885KDM4E 2102/4885L3MBTL1 4206/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP MAPT 62/4885KDM4E 1800/4885L3MBTL1 4523/4885
US-20110144098-A1 AMINO OXAZINE DERIVATIVES BACE2, BACE1, PSEN2 MAPT 114/4885KDM4E 1501/4885L3MBTL1 2942/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 MAPT 58/4885KDM4E 2102/4885L3MBTL1 4206/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP MAPT 62/4885KDM4E 1800/4885L3MBTL1 4523/4885
US-20150322054-A1 1,3-Oxazines As Bace1 And/Or Bace2 Inhibitors BACE2, BACE1, PSEN1 MAPT 58/4885KDM4E 2102/4885L3MBTL1 4206/4885
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP MAPT 62/4885KDM4E 918/4885L3MBTL1 4307/4885

“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.