SCHEMBL9686

SCHEMBL9686

COc1ccc(CNc2nc3cc(F)c(-c4ccccc4C)cc3cc2CCC(=O)NCC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.55
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSD P07339 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 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
SCHEMBL13348 0.86 KMT2A (0.47) BACE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL9708 0.83 BACE1 (0.75) BACE1KMT2AMEN1ALDH1A1TSHR
SCHEMBL14322028 0.82 BACE1 (0.60) BACE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL9498 0.81 KMT2A (0.42) BACE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL14321942 0.81 BACE1 (0.49) BACE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL14321711 0.76 BACE1 (0.45) BACE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL17620323 0.76 BACE1 (0.45) BACE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL14321923 0.75 BACE1 (0.49) BACE1KMT2AMEN1ALDH1A1LMNA
SCHEMBL17620331 0.75 BACE1 (0.79) BACE1KMT2AMEN1ALDH1A1TSHR
SCHEMBL9381 0.72 KMT2A (0.48) BACE1KMT2AMEN1ALDH1A1LMNA

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

“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.