SCHEMBL882736

SCHEMBL882736

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.57
KCNH2 Q12809 6/20 0.33
KCNH1 O95259 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL875796 0.87 BACE1 (0.55) BACE1KCNH2
SCHEMBL875795 0.87 BACE1 (0.55) BACE1KCNH2
SCHEMBL15124869 0.83 BACE1 (0.54) BACE1KCNH2BACE2
SCHEMBL878195 0.79 BACE1 (0.50) BACE1
SCHEMBL15125020 0.78 BACE1 (0.49) BACE1KCNH2BACE2
SCHEMBL15124485 0.74 BACE1 (1.00) BACE1KCNH2KCNH1BACE2
SCHEMBL7515604 0.73 BACE1 (0.57) BACE1BACE2
SCHEMBL15132596 0.70 BACE1 (0.40) BACE1
SCHEMBL12496808 0.69 BACE1 (0.54) BACE1KCNH2KCNH1BACE2OPRD1
SCHEMBL12467246 0.66 BACE1 (0.36) BACE1

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 7 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
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
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 2/4885KCNH2 3532/4885KCNH1 3353/4885

“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.