SCHEMBL8782

SCHEMBL8782

COC(=O)C=Cc1cc2cc(Br)c(F)cc2nc1NCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.40
VNN1 O95497 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
MAP2K4 P45985 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL8781 1.00 MAPT (0.41) MAPTALDH1A1KDM4ERECQLPOLB
SCHEMBL9137 0.93 POLB (0.42) MAPTALDH1A1KDM4ERECQLPOLB
SCHEMBL13906 0.93 MAPT (0.41) MAPTALDH1A1KDM4ERECQLVNN1
SCHEMBL8834 0.86 POLB (0.47) MAPTALDH1A1KDM4ERECQLPOLB
SCHEMBL9775 0.86 POLB (0.47) MAPTALDH1A1KDM4ERECQLPOLB
SCHEMBL9909 0.86 MAP2K4 (0.41) MAPTPOLBVNN1EGFRJAK3
SCHEMBL14321783 0.85 VNN1 (0.39) MAPTALDH1A1KDM4EVNN1TP53
SCHEMBL14321784 0.85 VNN1 (0.39) MAPTALDH1A1KDM4EVNN1TP53
SCHEMBL9661 0.83 ALDH1A1 (0.44) MAPTALDH1A1KDM4ERECQLPOLB
SCHEMBL9660 0.83 ALDH1A1 (0.44) MAPTALDH1A1KDM4ERECQLPOLB

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 MAPT 809/4885ALDH1A1 1846/4885KDM4E 1816/4885

“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.