SCHEMBL4605489

SCHEMBL4605489

CSc1nsc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.40

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
SCHEMBL4606116 0.80 KMT2A (0.43) ADORA3LMNAKMT2ACYP1A2CYP2C9
SCHEMBL4607588 0.80 KDM4E (0.43) ADORA3MEN1KMT2AMAPK1TDP1
SCHEMBL4603390 0.77 TSHR (0.42) TSHRALDH1A1LMNADCUN1D1MEN1
SCHEMBL4605715 0.75 HSP90AA1 (0.49) TSHRALDH1A1LMNANPSR1DCUN1D1
SCHEMBL14207826 0.74 ALDH1A1 (0.51) TSHRALDH1A1LMNAHSP90AA1MEN1
SCHEMBL6849437 0.74 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL2212694 0.71 CYP19A1 (0.67) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL10550071 0.70 GAA (0.47) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL8101030 0.69 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL855317 0.69 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1ALDH1A1

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-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-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.