SCHEMBL1767713

SCHEMBL1767713

Cc1ccccc1-c1ccc2nc(N)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 1.00
CTSD P07339 1/20 1.00
LCK P06239 1/20 0.64
KDR P35968 1/20 0.64
JAK3 P52333 1/20 0.64
MAPK14 Q16539 1/20 0.64
NCK1 P16333 1/20 0.54
PLAU P00749 1/20 0.49
TRPA1 O75762 1/20 0.48
NCF1 P14598 2/20 0.47
NOS2 P35228 2/20 0.47
ACHE P22303 1/20 0.46
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL5494575 0.78 LCK (1.00) BACE1CTSDLCKKDRJAK3
SCHEMBL22926832 0.78 BACE1 (1.00) BACE1CTSDNCK1PLAUNCF1
SCHEMBL9826 0.77 BACE1 (0.62) BACE1CTSDNCF1ACHE
SCHEMBL5478956 0.77 BACE1 (0.62) BACE1CTSDNCK1PLAUNCF1
SCHEMBL14244867 0.76 ABL1 (0.69) BACE1CTSDLCKKDRJAK3
SCHEMBL9711 0.76 BACE1 (0.61) BACE1CTSDPLAUNCF1NOS2
SCHEMBL5157768 0.75 CTSD (0.60) BACE1CTSDLCKKDRJAK3
SCHEMBL3155647 0.75 CTSD (0.59) BACE1CTSDLCKKDRJAK3
SCHEMBL9932 0.75 BACE1 (0.59) BACE1CTSDJAK3ACHE
SCHEMBL15598665 0.74 BACE1 (0.59) BACE1CTSDLCKKDRJAK3

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-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
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

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 828/4885LCK 3596/4885

“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.