SCHEMBL9826

SCHEMBL9826

CCOc1ccccc1-c1ccc2nc(N)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.62
CTSD P07339 1/20 0.62
DHFR P00374 1/20 0.58
TLR8 Q9NR97 1/20 0.50
PTPRC P08575 1/20 0.50
NCF1 P14598 1/20 0.48
NR3C1 P04150 1/20 0.47
ABL1 P00519 3/20 0.46
PIP4K2A P48426 1/20 0.46
PDE10A Q9Y233 1/20 0.44
PDE3A Q14432 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL1767713 0.77 BACE1 (1.00) BACE1CTSDNCF1ACHE
SCHEMBL9932 0.76 BACE1 (0.59) BACE1CTSDACHE
SCHEMBL21223574 0.74 DHFR (0.49) DHFRTLR8PTPRCNCF1PDE3A
SCHEMBL3793772 0.73 PTPRC (0.55) DHFRPTPRCPIP4K2APDE3A
SCHEMBL3793105 0.72 PTPRC (0.55) DHFRPTPRCNR3C1
SCHEMBL22926832 0.71 BACE1 (1.00) BACE1CTSDDHFRNCF1
SCHEMBL15639344 0.70 BACE1 (0.67) BACE1CTSD
SCHEMBL14823126 0.70 S1PR1 (0.54) DHFRPTPRCNR3C1ABL1PIP4K2A
SCHEMBL13888550 0.70 DHFR (0.74) DHFRPTPRCABL1PIP4K2APDE10A
SCHEMBL9711 0.69 BACE1 (0.61) BACE1CTSDNCF1ACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP BACE1 1/4885CTSD 827/4885DHFR 1147/4885

“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.