SCHEMBL9958637

SCHEMBL9958637

CC1(c2cccc([N+](=O)[O-])c2)Cn2ccnc2C(N)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.42
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KCNH1 O95259 2/20 0.39
KCNH2 Q12809 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
TSHR P16473 2/20 0.37
ACHE P22303 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL9958641 0.85 BACE1 (0.44) BACE1ALDH1A1KCNH1KCNH2BACE2
SCHEMBL9958510 0.81 BACE1 (0.42) BACE1ALDH1A1KCNH1KCNH2BACE2
SCHEMBL9958645 0.81 BACE1 (0.42) BACE1ALDH1A1KCNH1KCNH2BACE2
SCHEMBL9959469 0.77 BACE1 (0.51) BACE1KCNH2BACE2
SCHEMBL9959466 0.77 BACE1 (0.51) BACE1KCNH2BACE2
SCHEMBL251682 0.77 BACE1 (0.52) BACE1KDM1AALDH1A1CHRNA1CHRNG
SCHEMBL17771221 0.76 KDM1A (0.41) BACE1KDM1AALDH1A1KCNH1KCNH2
SCHEMBL12496705 0.74 KDM1A (0.39) BACE1KDM1AALDH1A1KCNH1KCNH2
SCHEMBL15311547 0.72 BACE1 (0.44) BACE1KCNH2BACE2
SCHEMBL15311293 0.72 BACE1 (0.44) BACE1KCNH2BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840507-B2 5,6-dihydro-imidazo[1,2-a]pyrazin-8-ylamine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, NV (BE) 2017-12-12 US disclosed
EP-2655376-B1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-08-23 EP disclosed
EP-2655376-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica NV (BE) 2013-10-30 EP disclosed
US-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2013-10-17 US disclosed
WO-2012085038-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-06-28 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-20130274266-A1 5,6-DIHYDRO-IMIDAZO[1,2-a]PYRAZIN-8-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885KDM1A 3483/4885ALDH1A1 3954/4885

“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.