SCHEMBL17699503

SCHEMBL17699503

Cc1ncn2c1C(=O)NC(C)(c1cc(Br)ccc1F)C2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.35
BACE2 Q9Y5Z0 5/20 0.33
CTSD P07339 4/20 0.33
CASP3 P42574 1/20 0.33
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
NR3C1 P04150 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
SCHEMBL17699501 1.00 BACE1 (0.35) BACE1BACE2CTSDCASP3GABRG2
SCHEMBL17699488 0.85 BACE1 (0.33) BACE1BACE2CTSD
SCHEMBL16306353 0.85 BACE1 (0.33) BACE1BACE2CTSD
SCHEMBL17702540 0.83 BACE1 (0.32) BACE1BACE2CTSD
SCHEMBL9959296 0.81 BACE1 (0.38) BACE1BACE2CTSDCASP3GABRG2
SCHEMBL9959292 0.81 BACE1 (0.38) BACE1BACE2CTSDCASP3GABRG2
SCHEMBL12496699 0.80 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL15400141 0.80 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL17699511 0.79 BACE1 (0.35) BACE1BACE2CTSD
SCHEMBL16306335 0.79 BACE1 (0.35) BACE1BACE2CTSD

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 1/4885CTSD 869/4885

“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.