SCHEMBL878079

SCHEMBL878079

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KLKB1 P03952 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLAU P00749 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
DDR1 Q08345 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL15132598 0.84 NPSR1 (0.43) MAPTMEN1KMT2APLAUALDH1A1
SCHEMBL878626 0.81 PTGS2 (0.32) MAPTALDH1A1PTGS2CYP3A4HSD17B10
SCHEMBL15124924 0.81 CTSL (0.33) MAPTKLKB1KMT2AALDH1A1DDR1
SCHEMBL15124923 0.81 CTSL (0.33) MAPTKLKB1KMT2AALDH1A1DDR1
SCHEMBL878130 0.75 GBA1 (0.36) KLKB1ALDH1A1PTGS2
SCHEMBL15124866 0.72 CA1 (0.40) MAPTMEN1KMT2AALDH1A1DDR1
SCHEMBL3690645 0.72 PTGS2 (0.34) ALDH1A1PTGS2
SCHEMBL15124596 0.69 PTGS1 (0.31) PTGS2
SCHEMBL15124595 0.69 PTGS1 (0.31) PTGS2
SCHEMBL15124976 0.69 CA1 (0.33) MAPTMEN1KMT2AALDH1A1PTGS2

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 MAPT 54/4885KLKB1 2748/4885MEN1 602/4885

“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.