SCHEMBL9378

SCHEMBL9378

COC(=O)CCc1nc2cc(Br)ccc2nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.60
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP3 P42574 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A2 P05177 1/20 0.36
ATM Q13315 1/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL28445478 0.88 EGFR (0.46) EGFRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL28447306 0.88 EGFR (0.46) EGFRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9365 0.84 HDAC6 (0.43) EGFRKDM4EALDH1A1L3MBTL1RAB9A
SCHEMBL9286 0.76 EGFR (0.50) EGFRKDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL9615 0.75 EGFR (0.82) EGFRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL28451900 0.74 EGFR (0.48) EGFRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL28448193 0.74 EGFR (0.48) EGFRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL23151910 0.71 GRM1 (0.42) EGFRKDM4EHPGDALDH1A1CASP3
SCHEMBL28445383 0.70 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL404395 0.70 TDP1 (0.50) KDM4EALDH1A1SMN1; SMN2L3MBTL1MEN1

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 1816/4885HPGD 3002/4885

“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.