SCHEMBL17699479

SCHEMBL17699479

C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2cncc2C(N)=N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 10/20 1.00
KCNH1 O95259 5/20 1.00
KCNH2 Q12809 3/20 0.76
APP P05067 3/20 0.75
CYP3A4 P08684 1/20 0.71

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
SCHEMBL17699499 0.90 BACE1 (0.81) BACE1BACE2KCNH1KCNH2APP
SCHEMBL17699486 0.90 BACE1 (0.81) BACE1BACE2KCNH1KCNH2APP
SCHEMBL17704793 0.89 BACE1 (1.00) BACE1BACE2KCNH1KCNH2APP
SCHEMBL12525223 0.89 BACE1 (1.00) BACE1BACE2KCNH1KCNH2APP
SCHEMBL17699493 0.88 BACE1 (0.79) BACE1BACE2KCNH1KCNH2APP
SCHEMBL12525338 0.87 BACE1 (0.76) BACE1BACE2KCNH1KCNH2APP
SCHEMBL16312284 0.86 BACE1 (0.78) BACE1BACE2KCNH1KCNH2APP
SCHEMBL17704794 0.86 BACE1 (1.00) BACE1BACE2KCNH1KCNH2APP
SCHEMBL17728098 0.86 BACE1 (1.00) BACE1BACE2KCNH1KCNH2APP
SCHEMBL17771606 0.85 BACE1 (1.00) BACE1BACE2KCNH1KCNH2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580433-B2 4-amino-6-phenyl-5,6-dihydroimidazo[1,5-A]pyrazine derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 US disclosed
US-20160115170-A1 4-AMINO-6-PHENYL-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-04-28 US 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-20160115170-A1 4-AMINO-6-PHENYL-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885KCNH1 4061/4885

“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.