SCHEMBL3879640

SCHEMBL3879640

Clc1ccc(-c2nc3c(s2)CCNCC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.38
CD274 Q9NZQ7 7/20 0.38
MET P08581 1/20 0.37
ALK Q9UM73 1/20 0.37
TLR9 Q9NR96 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
PIK3CD O00329 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
NPC1 O15118 2/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL19674697 0.77 HTR2C (0.46) PDCD1CD274TLR9TLR7TLR8
SCHEMBL3883955 0.74 HTR2C (0.44) PDCD1CD274TLR9TLR7TLR8
SCHEMBL3579620 0.74 PPARD (0.43) PDCD1CD274NPC1KDM4ERAB9A
SCHEMBL3881561 0.74 CNR2 (0.46) PDCD1CD274
SCHEMBL3878282 0.74 CHRNB2 (0.34) PIK3CDNPC1RAB9ACHRNB2CHRNA4
SCHEMBL3878278 0.74 GRM5 (0.39) PDCD1CD274NPC1RAB9A
SCHEMBL3881617 0.73 APP (0.44) PDCD1CD274TLR9TLR7TLR8
SCHEMBL30785589 0.72 PDCD1 (0.52) PDCD1CD274TLR9TLR7TLR8
SCHEMBL15933625 0.72 PDCD1 (0.48) PDCD1CD274TLR9TLR7TLR8
SCHEMBL3879657 0.72 PDCD1 (0.33) PDCD1CD274METALKTLR9

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 1101/4885MET 554/4885

“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.