SCHEMBL4605578

SCHEMBL4605578

CC#CCOc1nsc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
P2RY1 P47900 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP19A1 P11511 1/20 0.32
HTT P42858 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL4604966 0.84 GRM5 (0.38) ADORA3NPC1RAB9AKDM4EHRH3
SCHEMBL4604558 0.84 CHRNA7 (0.38) ADORA3KDM4ESMN1; SMN2
SCHEMBL4606264 0.82 ADORA3 (0.45) ADORA3ADORA2AADORA2BADORA1P2RY1
SCHEMBL4606677 0.82 ALDH1A1 (0.33) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL29600941 0.74 ADORA3 (0.53) ADORA3ADORA2AADORA2BADORA1P2RY1
SCHEMBL6364194 0.73
SCHEMBL4604129 0.72 TRPM8 (0.39) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL6581398 0.70 TDP1 (0.49) ADORA3ADORA2AADORA2BADORA1TP53
SCHEMBL6265267 0.66 KCNH2 (0.55)
SCHEMBL6934276 0.66 GRM5 (0.36) RAB9ACHRM3HSD17B10MAPK1POLB

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-1574505-B1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2008-07-16 EP disclosed
US-7361675-B2 1,2,4-thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-04-22 US disclosed
US-20060167266-A1 1,2,4- thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-27 US disclosed
EP-1574505-A1 1,2,4-THIADIAZOLE COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-09-14 EP 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-20060167266-A1 1,2,4- thiadiazole compounds and use thereof CBR3, CBR1, NOX3 ADORA3 497/4885ADORA2A 2646/4885ADORA2B 1609/4885

“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.