SCHEMBL3879092

SCHEMBL3879092

FC(F)(F)c1ccc(-c2nc3c(s2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
GRM5 P41594 2/20 0.39
CPT1A P50416 1/20 0.36
PIK3CA P42336 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCHR1 Q99705 6/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
SCD O00767 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3885321 0.84 DPP4 (0.41) HRH3GRM5PDCD1CD274MCHR1
SCHEMBL3878278 0.83 GRM5 (0.39) HRH3GRM5PIK3CAPDCD1CD274
SCHEMBL3880384 0.81 PIK3CA (0.38) HRH3GRM5PIK3CAPDCD1CD274
SCHEMBL3880226 0.80 GRM5 (0.39) HRH3GRM5PIK3CAPDCD1CD274
SCHEMBL3878614 0.80 CNR2 (0.39) HRH3GRM5PIK3CA
SCHEMBL3882667 0.80 HRH3 (0.39) HRH3GRM5PDCD1CD274NPC1
SCHEMBL14111224 0.79 GRM5 (0.38) HRH3GRM5PDCD1CD274NPC1
SCHEMBL3880965 0.79 GRM5 (0.38) HRH3GRM5PDCD1CD274NPC1
SCHEMBL3879437 0.79 HRH3 (0.43) HRH3GRM5PDCD1CD274NPC1
SCHEMBL3879097 0.78 PIK3CA (0.34) CPT1APIK3CACYP2C19PIK3CDPIK3CB

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 5 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
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

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 1/4885GRM5 26/4885CPT1A 4187/4885

“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.