SCHEMBL878130

SCHEMBL878130

CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1C(O)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 4/20 0.34
PTGS1 P23219 2/20 0.32
KCNA5 P22460 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
KLKB1 P03952 1/20 0.31
TACR1 P25103 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL15132597 0.84 GBA1 (0.36) GBA1KCNA5ALDH1A1
SCHEMBL15124891 0.82 PTGS2 (0.32) KDM4EPTGS2PTGS1PDE4B
SCHEMBL878079 0.75 MAPT (0.37) PTGS2ALDH1A1KLKB1
SCHEMBL3690645 0.74 PTGS2 (0.34) KDM4EPTGS2PTGS1ALDH1A1L3MBTL1
SCHEMBL15124866 0.72 CA1 (0.40) KDM4EPTGS2PTGS1ALDH1A1L3MBTL1
SCHEMBL15124924 0.70 CTSL (0.33) PTGS2PTGS1ALDH1A1KLKB1
SCHEMBL15124923 0.70 CTSL (0.33) PTGS2PTGS1ALDH1A1KLKB1
SCHEMBL878626 0.67 PTGS2 (0.32) PTGS2PTGS1ALDH1A1PDE4B
SCHEMBL2583804 0.66 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL241692 0.63 IDO1 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097389-B 4, 7-dihydro-pyrazolo [1,5-a ] pyrazin-6-ylamine derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2015-10-14 CN disclosed
EP-2619207-B1 4,7-Dihydro-pyrazolo[1,5-a]pyrazin-6-ylamine derivatives useful as inhibitors of beta secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-11-12 EP disclosed
US-8609660-B2 4,7-dihydro-pyrazolo[1,5-a]pyrazin-6-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-12-17 US disclosed
EP-2619207-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2013-07-31 EP disclosed
US-20130190318-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-07-25 US disclosed
US-20130190318-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-07-25 US disclosed
CN-103097389-A 4, 7-dihydro-pyrazolo [1,5-a ] pyrazin-6-ylamine derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV 2013-05-08 CN disclosed
WO-2012038438-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 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-20130190318-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 GBA1 475/4885KDM4E 3636/4885PTGS2 2477/4885

“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.