SCHEMBL2830979

SCHEMBL2830979

Cc1nc(C(=O)O)c(Nc2cc(Cl)ccn2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
GRM5 P41594 7/20 0.42
JAK2 O60674 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.37
MAPT P10636 2/20 0.37
GSK3A P49840 1/20 0.37
MAPK10 P53779 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
SORT1 Q99523 2/20 0.36

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
SCHEMBL2828850 0.87 JAK2 (0.51) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2825800 0.85 JAK2 (0.49) NPC1RAB9AGRM5JAK2MEN1
SCHEMBL2832722 0.82 TRPV4 (0.49) GRM5JAK2KDM4C
SCHEMBL2826494 0.80 ALDH1A1 (0.49) NPC1RAB9AGRM5JAK2MEN1
SCHEMBL2829077 0.80 GRM5 (0.50) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2829308 0.77 GRM5 (0.44) NPC1RAB9AGRM5MAPK10
SCHEMBL2831124 0.76 GRM5 (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL2826711 0.75 LMNA (0.41) RAB9AGRM5KMT2ASMN1; SMN2
SCHEMBL2829922 0.74 GRM5 (0.46) RAB9AGRM5JAK2
SCHEMBL2829903 0.74 GRM5 (0.41) NPC1RAB9AGRM5KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US 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 NPC1 2568/4885RAB9A 3231/4885CASP3 4647/4885

“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.