SCHEMBL875796

SCHEMBL875796

CC1(c2cccc(Br)c2)N=C(N)Cn2nccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.55
CTSD P07339 1/20 0.37
DHFR P00374 1/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KCNH2 Q12809 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL875795 1.00 BACE1 (0.55) BACE1CTSDDHFRCHRNA1CHRNG
SCHEMBL882736 0.87 BACE1 (0.57) BACE1KCNH2
SCHEMBL15124869 0.81 BACE1 (0.54) BACE1CTSDKCNH2
SCHEMBL12467246 0.80 BACE1 (0.36) BACE1CTSDCHRNA1CHRNGCHRNB1
SCHEMBL16229533 0.78 BACE1 (0.36) BACE1CTSDDHFR
SCHEMBL878195 0.77 BACE1 (0.50) BACE1
SCHEMBL15125020 0.76 BACE1 (0.49) BACE1CTSDKCNH2
SCHEMBL7515590 0.74 BACE1 (0.55) BACE1CTSDDHFRHSD11B1ALDH1A1
SCHEMBL877591 0.73 KMT2A (0.40) BACE1CTSDCHRNA1CHRNGCHRNB1
SCHEMBL15124792 0.73 KMT2A (0.40) BACE1CTSDCHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 BACE1 2/4885CTSD 277/4885DHFR 3873/4885

“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.