SCHEMBL17699485

SCHEMBL17699485

CC1(c2cc(Br)ccc2F)Cn2cncc2C(=S)N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.35
BACE2 Q9Y5Z0 3/20 0.35
KCNH1 O95259 1/20 0.35
CTSD P07339 3/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL16306342 1.00 BACE1 (0.35) BACE1BACE2KCNH1CTSDHTR1A
SCHEMBL17699511 0.86 BACE1 (0.35) BACE1BACE2KCNH1CTSDHTR1A
SCHEMBL16306335 0.86 BACE1 (0.35) BACE1BACE2KCNH1CTSDHTR1A
SCHEMBL16424782 0.81 BACE1 (0.32) BACE1BACE2CTSD
SCHEMBL17728101 0.80 BACE1 (0.35) BACE1BACE2KCNH1CTSD
SCHEMBL16311226 0.80 BACE1 (0.35) BACE1BACE2KCNH1CTSD
SCHEMBL15400142 0.78 BACE1 (0.36) BACE1BACE2CTSD
SCHEMBL12496959 0.78 BACE1 (0.36) BACE1BACE2CTSD
SCHEMBL9959295 0.77 BACE1 (0.35) BACE1BACE2KCNH1CTSD
SCHEMBL9959287 0.77 BACE1 (0.35) BACE1BACE2KCNH1CTSD

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-9834559-B2 4-Amino-6-phenyl-5,6-dihydroimidazo[1,5-a]pyrazin-3(2H)-one derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-12-05 US disclosed
EP-3008067-B1 4-AMINO-6-PHENYL-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-3(2H)-ONE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-03-29 EP disclosed
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
US-20160115171-A1 4-AMINO-6-PHENYL-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-3(2H)-ONE 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 (2 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
US-20160115171-A1 4-AMINO-6-PHENYL-5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-3(2H)-ONE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885KCNH1 4336/4885

“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.