SCHEMBL13348

SCHEMBL13348

COc1ccc(CNc2nc3cc(F)c(Br)cc3cc2CCC(=O)NCC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
BACE1 P56817 2/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CTSD P07339 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL14321942 0.88 BACE1 (0.49) KMT2AMEN1BACE1POLBALDH1A1
SCHEMBL9686 0.86 BACE1 (0.55) KMT2AMEN1BACE1ALDH1A1CTSD
SCHEMBL9498 0.85 KMT2A (0.42) KMT2AMEN1BACE1POLBALDH1A1
SCHEMBL9660 0.83 ALDH1A1 (0.44) KMT2APOLBALDH1A1CTSDSMN1; SMN2
SCHEMBL9661 0.83 ALDH1A1 (0.44) KMT2APOLBALDH1A1CTSDSMN1; SMN2
SCHEMBL14321923 0.80 BACE1 (0.49) KMT2AMEN1BACE1POLBALDH1A1
SCHEMBL17620323 0.79 BACE1 (0.45) KMT2AMEN1BACE1POLBALDH1A1
SCHEMBL14322028 0.79 BACE1 (0.60) KMT2AMEN1BACE1ALDH1A1CTSD
SCHEMBL9381 0.79 KMT2A (0.48) KMT2AMEN1BACE1POLBALDH1A1
SCHEMBL14321711 0.78 BACE1 (0.45) KMT2AMEN1BACE1ALDH1A1CTSD

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 KMT2A 1441/4885MEN1 4400/4885BACE1 1/4885

“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.