SCHEMBL9959702

SCHEMBL9959702

CC(C)(C)OC(=O)NC1=NC(C)(c2cc(NC(=O)O)ccc2F)Cn2cc(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
KCNH2 Q12809 2/20 0.43
APP P05067 2/20 0.43
BACE2 Q9Y5Z0 14/20 0.40
CTSD P07339 1/20 0.40
KCNH1 O95259 4/20 0.40
CYP3A4 P08684 1/20 0.38

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
SCHEMBL10175090 0.96 BACE1 (0.45) BACE1KCNH2APPBACE2CTSD
SCHEMBL19244679 0.96 BACE1 (0.45) BACE1KCNH2APPBACE2CTSD
SCHEMBL19266170 0.89 BACE1 (0.44) BACE1KCNH2APPBACE2KCNH1
SCHEMBL9959219 0.87 BACE1 (0.43) BACE1KCNH2APPBACE2CTSD
SCHEMBL10175089 0.87 BACE1 (0.44) BACE1KCNH2APPBACE2CTSD
SCHEMBL19244676 0.87 BACE1 (0.38) BACE1KCNH2APPBACE2CTSD
SCHEMBL19244678 0.87 BACE1 (0.38) BACE1KCNH2APPBACE2CTSD
SCHEMBL9959340 0.84 BACE1 (0.40) BACE1APPBACE2CTSDCYP3A4
SCHEMBL9959101 0.83 BACE1 (0.60) BACE1KCNH2APPBACE2KCNH1
SCHEMBL15318254 0.82 BACE1 (0.52) BACE1KCNH2APPBACE2CYP3A4

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 2/4885KCNH2 3260/4885APP 4/4885

“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.