SCHEMBL13664615

SCHEMBL13664615

CN(C)c1ccc(-c2nc3c(s2)CCNC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.52
CD274 Q9NZQ7 3/20 0.52
TLR9 Q9NR96 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
APP P05067 11/20 0.43
GAA P10253 4/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
GLA P06280 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TLR8 Q9NR97 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL3881617 0.90 APP (0.44) PDCD1CD274TLR9TLR7APP
SCHEMBL1262023 0.81 PDCD1 (0.52) PDCD1CD274TLR9TLR7TLR8
SCHEMBL15164318 0.81 PDCD1 (0.52) PDCD1CD274TLR9TLR7APP
SCHEMBL30785589 0.81 PDCD1 (0.52) PDCD1CD274TLR9TLR7ALDH1A1
SCHEMBL12491614 0.81 PDCD1 (0.69) PDCD1CD274TLR9TLR7NPC1
SCHEMBL4761746 0.81 PDCD1 (0.52) PDCD1CD274TLR9TLR7TLR8
Hydrochloric Acid SCHEMBL1263591 0.80 PDCD1 (0.51) PDCD1CD274TLR9TLR7TLR8
SCHEMBL13667275 0.80 GAA (0.53) APPGAAMGAMSIMGAM2
SCHEMBL5644831 0.78 PDCD1 (0.50) PDCD1CD274TLR9TLR7NPC1
SCHEMBL1261819 0.78 PDCD1 (0.49) PDCD1CD274TLR9TLR7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270447-A1 2-Aryl-and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US 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-20090270447-A1 2-Aryl-and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof CYP2U1, SEC22B, SEC63 PDCD1 2060/4885CD274 4121/4885TLR9 4806/4885

“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.