SCHEMBL15124792

SCHEMBL15124792

C[C@]1(c2cccc(Br)c2)NC(=O)Cn2nccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
HSD11B1 P28845 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 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
SCHEMBL877591 1.00 KMT2A (0.40) KMT2AMEN1HCAR3HCAR2CHRNA1
SCHEMBL877630 0.86 CHRNA1 (0.36) KMT2AMEN1HCAR3HCAR2CHRNA1
SCHEMBL878299 0.86 CHRNA1 (0.36) KMT2AMEN1HCAR3HCAR2CHRNA1
SCHEMBL878090 0.85 BACE1 (0.40) KMT2AMEN1HCAR3HCAR2CHRNA1
SCHEMBL877425 0.81 BACE1 (0.43) BACE1CTSD
SCHEMBL10082099 0.79 KMT2A (0.38) KMT2AMEN1HCAR3HCAR2CHRNA1
SCHEMBL7517439 0.77 KMT2A (0.44) KMT2AMEN1HCAR3HCAR2CHRNA1
SCHEMBL877937 0.76 BACE1 (0.47) BACE1CTSD
SCHEMBL875795 0.73 BACE1 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL875796 0.73 BACE1 (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 3 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
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
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

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 KMT2A 1700/4885MEN1 602/4885HCAR3 4822/4885

“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.