SCHEMBL9958639

SCHEMBL9958639

CC1(c2cccc(C(N)=O)c2)Cn2ccnc2C(N)=N1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.46
KCNH1 O95259 2/20 0.43
KCNH2 Q12809 2/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
PARP1 P09874 2/20 0.37
OPRM1 P35372 6/20 0.36
OPRK1 P41145 4/20 0.36
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
OPRD1 P41143 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
SCHEMBL9958641 0.85 BACE1 (0.44) BACE1KCNH1KCNH2BACE2OPRM1
SCHEMBL9958645 0.81 BACE1 (0.42) BACE1KCNH1KCNH2BACE2OPRD1
SCHEMBL10174926 0.81 BACE1 (0.42) BACE1KCNH1KCNH2BACE2OPRD1
SCHEMBL9958510 0.81 BACE1 (0.42) BACE1KCNH1KCNH2BACE2OPRD1
SCHEMBL9958845 0.81 BACE1 (0.62) BACE1KCNH1KCNH2BACE2
SCHEMBL9958637 0.80 BACE1 (0.42) BACE1KCNH1KCNH2BACE2
SCHEMBL12496842 0.79 BACE1 (0.55) BACE1KCNH1KCNH2BACE2PARP1
SCHEMBL19266297 0.78 BACE1 (0.37) BACE1KCNH1KCNH2BACE2
SCHEMBL9958526 0.77 BACE1 (0.45) BACE1KCNH1KCNH2BACE2
SCHEMBL15311636 0.77 BACE1 (0.45) BACE1KCNH1KCNH2BACE2

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 2/4885KCNH1 3851/4885KCNH2 3260/4885

“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.