SCHEMBL9959113

SCHEMBL9959113

C[C@@]1(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)Cn2cc(C#N)nc2C(N)=N1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.87
APP P05067 8/20 0.87
KCNH2 Q12809 5/20 0.87
CYP3A4 P08684 4/20 0.72
BACE2 Q9Y5Z0 11/20 0.67
KCNH1 O95259 5/20 0.67

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
SCHEMBL9959117 1.00 BACE1 (0.87) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL15312062 0.93 BACE1 (0.76) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL15318260 0.89 BACE1 (0.80) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL9960557 0.88 BACE1 (0.68) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL9960551 0.88 BACE1 (0.68) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL9952475 0.87 BACE1 (0.76) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL9959206 0.84 BACE1 (0.77) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL9959204 0.84 BACE1 (0.77) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL9959134 0.84 BACE1 (1.00) BACE1APPKCNH2CYP3A4BACE2
SCHEMBL9959131 0.84 BACE1 (1.00) BACE1APPKCNH2CYP3A4BACE2

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 2/4885APP 4/4885KCNH2 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.