SCHEMBL3878968

SCHEMBL3878968

CN1CCN(c2ccc(-c3nc4c(s3)CCN(C3CCC3)CC4)cn2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.41
PIK3CA P42336 2/20 0.34
TLR4 O00206 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
GRM5 P41594 4/20 0.33
KMT2A Q03164 1/20 0.31
LCK P06239 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL3882290 0.86 HRH3 (0.46) HRH3TLR4TLR9TLR8TLR7
SCHEMBL3883722 0.85 CNR2 (0.43) HRH3PDCD1CD274GRM5
SCHEMBL3881426 0.84 HRH3 (0.44) HRH3NPC1RAB9APDCD1CD274
SCHEMBL3880206 0.84 TDO2 (0.39) HRH3PIK3CATLR4TLR9TLR8
SCHEMBL3878444 0.83 HRH3 (0.43) HRH3NPC1RAB9APDCD1CD274
SCHEMBL3880384 0.82 PIK3CA (0.38) HRH3PIK3CAPDCD1CD274GRM5
SCHEMBL3879657 0.81 PDCD1 (0.33) TLR9TLR8TLR7NPC1RAB9A
SCHEMBL3878971 0.81 NPC1 (0.32) NPC1RAB9AKMT2A
SCHEMBL3878614 0.81 CNR2 (0.39) HRH3PIK3CAGRM5
SCHEMBL3879168 0.80 NPC1 (0.37) TLR8TLR7NPC1RAB9AGRM5

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
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US claimed
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
EP-1858900-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006097691-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-09-21 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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 HRH3 1/4885PIK3CA 4145/4885TLR4 262/4885

“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.