SCHEMBL14855865

SCHEMBL14855865

C[C@](O)(C(=O)OCc1ccccc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 4/20 0.53
PDK1 Q15118 4/20 0.51
PDK2 Q15119 4/20 0.51
PDK3 Q15120 4/20 0.51
PDK4 Q16654 4/20 0.51
PTPN1 P18031 2/20 0.48
PTPRC P08575 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL2241428 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL14783691 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL19500998 0.85 KMT2A (0.55) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL12128693 0.84 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL19105239 0.84 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL18484548 0.84 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL25298385 0.83 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL24142683 0.83 KMT2A (0.56) KMT2AMEN1ALDH1A1PTPN1PTPRC
SCHEMBL21307361 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1PDK1PDK2
SCHEMBL24347012 0.82 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1PTPN1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-05-02 US disclosed
EP-2580200-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2013-04-17 EP disclosed
WO-2011154431-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 KMT2A 1578/4885MEN1 1319/4885ALDH1A1 3229/4885
US-20130109683-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 KMT2A 1578/4885MEN1 1319/4885ALDH1A1 3229/4885

“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.