SCHEMBL5350869

SCHEMBL5350869

NC(=O)CN1Cc2cc(Br)ccc2N=C1N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.48
PDE4B Q07343 17/20 0.48
PDE4C Q08493 17/20 0.48
PDE4D Q08499 17/20 0.48
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 1/20 0.36

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
SCHEMBL5350872 0.79 BACE1 (0.36) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL3362216 0.79 BACE1 (0.58) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL3367165 0.78 BACE1 (0.59) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL5535995 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL3367313 0.76 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL8265789 0.75 DRD2 (0.43) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL8266027 0.74 BACE1 (0.41) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL8265973 0.73 BACE1 (0.44) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL1634699 0.73 BACE2 (0.43) PDE4APDE4BPDE4CPDE4DBACE1
SCHEMBL1634599 0.72 BACE1 (0.39) PDE4APDE4BPDE4CPDE4DBACE1

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-20070232630-A1 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-10-04 US disclosed
WO-2007092839-A2 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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-20070232630-A1 MACROCYCLE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, BACE1, PSEN2 PDE4A 2365/4885PDE4B 1501/4885PDE4C 1971/4885

“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.