SCHEMBL2826658

SCHEMBL2826658

Cc1nc(C(=O)O)c(NCC2CCOCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.38
KDM1A O60341 6/20 0.37
FYN P06241 1/20 0.36
MAOA P21397 5/20 0.35
MAOB P27338 4/20 0.35
LRRK2 Q5S007 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
PIK3CD O00329 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
RIPK2 O43353 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
SCHEMBL2827041 0.90 KDM4C (0.38) KDM1AMAOAMAOBASPHKDM8
SCHEMBL2829696 0.81 MAPK1 (0.39) KDM1ALRRK2PIK3CD
SCHEMBL2828880 0.74 MAPT (0.39)
SCHEMBL2830184 0.72 NTRK1 (0.36) ADORA3ADORA1PI4KB
SCHEMBL2825787 0.68 NTRK1 (0.40)
SCHEMBL2831351 0.68 ALDH1A1 (0.47) ADORA2AADORA1PIK3CG
SCHEMBL5183769 0.68 FYN (0.39) KCNH3FYNLRRK2JAK2JAK3
SCHEMBL5199425 0.66 GRM5 (0.46)
SCHEMBL21768927 0.65 ADORA2A (0.42) KDM1AADORA2AADORA2BADORA3ADORA1
SCHEMBL5550880 0.64 NTRK1 (0.41) JAK2JAK3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 KCNH3 595/4885KDM1A 1660/4885FYN 2718/4885

“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.