SCHEMBL9615

SCHEMBL9615

COC(=O)CCc1nc2cc(Br)ccc2[nH]c1=O

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.82
KDM4E B2RXH2 12/20 0.70
HSD17B10 Q99714 7/20 0.70
ALDH1A1 P00352 5/20 0.70
HPGD P15428 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTT P42858 1/20 0.42

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
SCHEMBL28449192 0.88 KDM4E (0.71) EGFRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL718809 0.77 HDAC3 (0.62) EGFRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9378 0.75 EGFR (0.60) EGFRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL25432502 0.73 EGFR (0.49) EGFRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL31609601 0.73 EGFR (0.49) EGFRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11363687 0.73 KDM4E (0.67) EGFRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL3525255 0.73 EGFR (0.54) EGFRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4304567 0.72 EGLN1 (0.60) EGFRKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL13748011 0.71 MMP2 (0.50) EGFRALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6602730 0.70 ALDH1A1 (0.49) EGFRKDM4EHSD17B10ALDH1A1HPGD

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
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
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 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
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 EGFR 2625/4885KDM4E 1816/4885HSD17B10 963/4885

“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.