SCHEMBL7459501

SCHEMBL7459501

COC(=O)C(C)(NC(=O)CCl)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
KCNN4 O15554 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 1/20 0.35
MALT1 Q9UDY8 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
SCHEMBL14855989 0.86 GAA (0.39) TP53BP1KDM4EMAPK1GAASMN1; SMN2
SCHEMBL12067692 0.84 GAA (0.43) TP53BP1KDM4EMAPK1GAASMN1; SMN2
SCHEMBL28615904 0.83 KCNN4 (0.50) KDM4EMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL28615903 0.83 KCNN4 (0.50) KDM4EMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL4500763 0.82 GAA (0.42) TP53BP1KDM4EMAPK1GAASMN1; SMN2
SCHEMBL7452116 0.80 PTPRC (0.45) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL361630 0.78 GAA (0.39) TP53BP1KDM4EMAPK1GAASMN1; SMN2
SCHEMBL1173215 0.78 GAA (0.39) TP53BP1KDM4EMAPK1GAASMN1; SMN2
SCHEMBL1172988 0.78 GAA (0.39) TP53BP1KDM4EMAPK1GAASMN1; SMN2
SCHEMBL2153808 0.77 SMN1; SMN2 (0.37) MAPK1GAASMN1; SMN2MEN1KMT2A

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
EP-2588466-B1 5-Amino-3,6-dihydro-1H-pyrazin-2-one derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-03-19 EP disclosed
EP-2588466-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2013-05-08 EP disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
WO-2011154374-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE 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 (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-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 TP53BP1 482/4885KDM4E 4230/4885MAPK1 3128/4885

“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.