SCHEMBL1767828

SCHEMBL1767828

ClCc1cc2cc(Br)ccc2nc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.47
GFER P55789 1/20 0.47
BACE1 P56817 1/20 0.42
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
NT5E P21589 1/20 0.36
KDM4E B2RXH2 1/20 0.33
PSMB5 P28074 1/20 0.33
GRM1 Q13255 1/20 0.33
CASP3 P42574 1/20 0.33
PABPC1 P11940 1/20 0.33

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
SCHEMBL1767710 0.84 ALDH1A1 (0.49) KMT2ANPSR1ALDH1A1GFERBACE1
SCHEMBL667729 0.84 GRM1 (0.46) KMT2ANPSR1ALDH1A1GFERBACE1
SCHEMBL8353989 0.83 KMT2A (0.42) KMT2ANPSR1ALDH1A1GFERBACE1
SCHEMBL3250496 0.79 MAPT (0.49) KMT2AALDH1A1BACE1MAPTHTT
SCHEMBL13227192 0.79 MGAM (0.40) KMT2ANPSR1ALDH1A1BACE1MAPT
SCHEMBL14617051 0.79 KMT2A (0.75) KMT2ANPSR1ALDH1A1GFERBACE1
SCHEMBL18796290 0.78 KMT2A (0.44) KMT2ABACE1MAPTHTTCYP1A2
SCHEMBL24971016 0.77 BACE1 (0.47) KMT2ABACE1HTTCYP1A2CYP2D6
SCHEMBL30973192 0.77 BACE1 (0.47) KMT2ABACE1HTTCYP1A2CYP2D6
SCHEMBL23175554 0.77 ALDH1A1 (0.40) KMT2AALDH1A1GFERBACE1MAPT

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 8 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-8822485-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
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
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-01-17 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 KMT2A 1382/4885NPSR1 1622/4885ALDH1A1 1850/4885

“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.