SCHEMBL3880468

SCHEMBL3880468

COc1ncc(-c2nc3c(s2)CCN(C2CCC2)CC3)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
GRM5 P41594 2/20 0.36
HRH3 Q9Y5N1 12/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 3/20 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
SCHEMBL3880965 0.84 GRM5 (0.38) NPC1RAB9APDCD1CD274GRM5
SCHEMBL14111224 0.84 GRM5 (0.38) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3880571 0.82 HRH3 (0.40) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3882188 0.81 GRM5 (0.36) PDCD1CD274GRM5HRH3KCNH2
SCHEMBL3881755 0.81 GRM5 (0.39) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3878278 0.79 GRM5 (0.39) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3880638 0.78 NPC1 (0.53) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3880552 0.77 HRH3 (0.37) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3880384 0.77 PIK3CA (0.38) PDCD1CD274GRM5HRH3PIK3CA
SCHEMBL3880471 0.77 NPC1 (0.35) NPC1RAB9AKMT2A

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 NPC1 1741/4885RAB9A 2125/4885PDCD1 1718/4885

“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.