SCHEMBL14067368

SCHEMBL14067368

CN(C)c1ccc(-c2cn3ccc(F)cc3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.48
TLR7 Q9NYK1 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
APP P05067 3/20 0.45
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SCD O00767 2/20 0.41
TDO2 P48775 1/20 0.41
PKM P14618 1/20 0.41
GFER P55789 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL14067370 0.86 TLR9 (0.47) TLR9TLR7SMN1; SMN2TP53APP
SCHEMBL14067405 0.84 APP (0.42) TLR9TLR7SMN1; SMN2TP53APP
SCHEMBL14067364 0.83 APP (0.67) SMN1; SMN2APPNPC1RAB9AKDM4E
SCHEMBL14067381 0.82 APP (0.43) TLR9SMN1; SMN2TP53APPNPC1
SCHEMBL14067403 0.82 APP (0.44) TLR9TLR7SMN1; SMN2TP53APP
SCHEMBL14067400 0.78 APP (0.41) TLR9TLR7SMN1; SMN2TP53APP
SCHEMBL14067382 0.77 APP (0.43) TLR9TLR7SMN1; SMN2TP53APP
SCHEMBL14067385 0.77 NPC1 (0.44) SMN1; SMN2TP53APPNPC1RAB9A
SCHEMBL30309564 0.75 HDAC6 (0.65) TLR9TLR7SMN1; SMN2TP53BACE1
SCHEMBL3431380 0.75 APP (0.67) SMN1; SMN2APPNPC1RAB9AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080219922-A1 Alzheimer's Disease Imaging Agents EMORY UNIVERSITY 2008-09-11 US disclosed
US-20080219922-A1 Alzheimer's Disease Imaging Agents EMORY UNIVERSITY 2008-09-11 US disclosed
WO-2007033080-A2 ALZHEIMER'S DISEASE IMAGING AGENTS EMORY UNIVERSITY (US) 2007-03-22 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-20080219922-A1 Alzheimer's Disease Imaging Agents APP, PSEN1, MAPT TLR9 4883/4885TLR7 4871/4885SMN1; SMN2 1690/4885

“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.