SCHEMBL15069906

SCHEMBL15069906

Cc1cn(-c2ncc(C(=O)CBr)cc2C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.36
PLAA Q9Y263 1/20 0.36
ALPG P10696 1/20 0.35
GSK3B P49841 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NR2E1 Q9Y466 2/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
WNT3A P56704 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 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
SCHEMBL15069907 0.83 NR2E1 (0.38) ALPLPLAAALPGPDE4APDE4B
SCHEMBL15069904 0.78 ALPL (0.44) ALPLPLAAALPGGSK3BPDE4A
SCHEMBL653194 0.77 GSK3B (0.42) ALPLPLAAALPGGSK3BPDE4A
SCHEMBL652235 0.74 PDE4A (0.54) ALPLPLAAALPGGSK3BPDE4A
Acetic Acid SCHEMBL15568303 0.74 GSK3B (0.40) ALPLPLAAALPGGSK3BPDE4A
SCHEMBL12796813 0.73 CYP2E1 (0.41) PDE3BPDE3ANR2E1CYP2E1CYP2A6
SCHEMBL8297462 0.71 USP30 (0.49) ALPLPLAAALPGGSK3BPSEN1
SCHEMBL12796759 0.71 CYP1A2 (0.38) PDE3BPDE3ANR2E1CYP2E1CYP2A6
SCHEMBL12073993 0.69 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1672090 0.69 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B

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-9403815-B2 Compounds and uses thereof in modulating levels of various amyloid beta peptide alloforms THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US disclosed
US-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-06-27 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-20130165416-A1 COMPOUNDS AND USES THEREOF IN MODULATING LEVELS OF VARIOUS AMYLOID BETA PEPTIDE ALLOFORMS IAPP, APP, BACE1 ALPL 3075/4885PLAA 1879/4885ALPG 3000/4885

“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.