SCHEMBL9396

SCHEMBL9396

COc1ccc(CNc2nc3ccc(-c4ncccc4C)cc3cc2/C=C(\C)C(=O)NCCC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.48
CTSD P07339 2/20 0.48
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
TP53 P04637 3/20 0.35
SCD O00767 2/20 0.35
NPC1 O15118 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9397 1.00 BACE1 (0.48) BACE1CTSDCLK1CLK2DYRK1A
SCHEMBL14321924 0.84 ALDH1A1 (0.39) TP53NPC1ALDH1A1
SCHEMBL14321926 0.84 ALDH1A1 (0.39) TP53NPC1ALDH1A1
SCHEMBL14321873 0.82 BACE1 (0.69) BACE1CTSDCLK1CLK2DYRK1A
SCHEMBL14324953 0.79 ALDH1A1 (0.36) TP53ALDH1A1
SCHEMBL14324954 0.79 ALDH1A1 (0.36) TP53ALDH1A1
SCHEMBL9748 0.79 BACE1 (0.48) BACE1CTSDCLK1CLK2DYRK1A
SCHEMBL14322062 0.78 TP53 (0.35) TP53NPC1ALDH1A1HIF1A
SCHEMBL14322063 0.78 TP53 (0.35) TP53NPC1ALDH1A1HIF1A
SCHEMBL13635 0.69 MEN1 (0.43) TP53NPC1ALDH1A1

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 827/4885CLK1 1632/4885

“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.