SCHEMBL17741237

SCHEMBL17741237

CNC(=O)c1ccc(OCF)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.43
BACE2 Q9Y5Z0 9/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PLK1 P53350 2/20 0.42
P4HTM Q9NXG6 1/20 0.42
PARP1 P09874 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN9A Q15858 1/20 0.39

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
SCHEMBL15991475 0.83 ALDH1A1 (0.57) BACE1BACE2SMN1; SMN2SCN9A
SCHEMBL26025143 0.83 PLK1 (0.46) HRH3PLK1P4HTMPARP1HPGD
SCHEMBL991921 0.82 MAPK1 (0.57) BACE1BACE2P4HTMPARP1HPGD
SCHEMBL14903870 0.81 PLK1 (0.55) HRH3PLK1P4HTMHPGDSMN1; SMN2
SCHEMBL3169006 0.81 PLK1 (0.45) BACE1HRH3PLK1P4HTMPARP1
SCHEMBL25363419 0.80 PLK1 (0.44) HRH3PLK1P4HTMPARP1HPGD
SCHEMBL16987810 0.80 HRH3 (0.47) HRH3PLK1P4HTMPARP1HPGD
SCHEMBL991920 0.80 P4HTM (0.63) P4HTMTSHRHTTSMN1; SMN2
SCHEMBL6934524 0.79 NPC1 (0.56) BACE1BACE2P4HTMSMN1; SMN2
SCHEMBL9197238 0.79 HRH3 (0.44) HRH3PLK1P4HTMPARP1HPGD

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-9751886-B2 4-amino-6-phenyl-6,7-dihydro[1,2,3]triazolo[1,5-A]pyrazine derivatives as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-09-05 US disclosed
US-20160130274-A1 4-AMINO-6-PHENYL-6,7-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]PYRAZINE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-05-12 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-20160130274-A1 4-AMINO-6-PHENYL-6,7-DIHYDRO[1,2,3]TRIAZOLO[1,5-A]PYRAZINE DERIVATIVES AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885HRH3 4326/4885

“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.