SCHEMBL3879657

SCHEMBL3879657

CN1CCN(c2ccc(-c3nc4c(s3)CCNCC4)cn2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.33
CD274 Q9NZQ7 5/20 0.33
GPR119 Q8TDV5 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KMT2A Q03164 1/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
ITGA2B P08514 1/20 0.32
TLR8 Q9NR97 1/20 0.32
GRM5 P41594 3/20 0.31
MET P08581 1/20 0.31
ALK Q9UM73 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL3878538 0.85 NPC1 (0.37) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3881561 0.83 CNR2 (0.46) PDCD1CD274GPR119ITGA2BPIM1
SCHEMBL3878971 0.81 NPC1 (0.32) NPC1RAB9AKMT2A
SCHEMBL3878968 0.81 HRH3 (0.41) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3879168 0.80 NPC1 (0.37) NPC1RAB9ATLR7TLR8GRM5
SCHEMBL3879640 0.72 PDCD1 (0.38) PDCD1CD274NPC1RAB9ATLR9
SCHEMBL4883447 0.72 PDCD1 (0.38) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3878449 0.69 NPC1 (0.44) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3878526 0.68 NPC1 (0.42) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3880566 0.68 NPC1 (0.38) NPC1RAB9AKMT2ATLR9TLR7

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
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
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 PDCD1 1718/4885CD274 1101/4885GPR119 148/4885

“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.