SCHEMBL1768085

SCHEMBL1768085

Cc1cccnc1-c1ccc2nc(N)c(CCc3cc(CC(C)(C)C)ncn3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.54
CTSD P07339 3/20 0.54
SRC P12931 3/20 0.37
TGFBR1 P36897 2/20 0.36
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PIK3C2B O00750 1/20 0.33

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
SCHEMBL1767886 0.89 BACE1 (0.51) BACE1CTSDSRCTGFBR1PIK3CD
SCHEMBL1767826 0.85 BACE1 (0.57) BACE1CTSDSRCTGFBR1PIK3CD
SCHEMBL1767823 0.80 BACE1 (0.44) BACE1CTSDTGFBR1PIK3CDABL1
SCHEMBL1767863 0.74 BACE1 (0.55) BACE1CTSDKDR
SCHEMBL1767795 0.73 BACE1 (0.49) BACE1CTSDSRCTGFBR1PIK3CD
SCHEMBL1767842 0.72 BACE1 (0.54) BACE1CTSDKDR
SCHEMBL1767712 0.71 BACE1 (0.55) BACE1CTSDKDR
Ammonia Solution, Strong SCHEMBL1767884 0.70 BACE1 (0.37) BACE1CTSDSRCTGFBR1PIK3CD
SCHEMBL9166 0.70 BACE1 (1.00) BACE1CTSD
SCHEMBL9061 0.70 BACE1 (1.00) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822485-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-8822485-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-8822485-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-01-17 US disclosed
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-01-17 US disclosed
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-01-17 US disclosed
EP-2504330-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063272-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
WO-2011063272-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-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP BACE1 1/4885CTSD 828/4885SRC 2542/4885

“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.