SCHEMBL2826494

SCHEMBL2826494

Cc1nc(C(=O)O)c(Nc2ccccn2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPK10 P53779 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
KDR P35968 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TRPV4 Q9HBA0 1/20 0.44
GRM5 P41594 4/20 0.44
NTRK1 P04629 2/20 0.43
LCK P06239 1/20 0.42
BTK Q06187 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2829903 0.82 GRM5 (0.41) ALDH1A1NPC1RAB9ATRPV4GRM5
SCHEMBL2829922 0.82 GRM5 (0.46) JAK2RAB9AGRM5NTRK1LCK
SCHEMBL2828850 0.82 JAK2 (0.51) JAK2KDRNPC1RAB9AGRM5
SCHEMBL2829308 0.81 GRM5 (0.44) MAPK10KDRNPC1RAB9AGRM5
SCHEMBL2825800 0.80 JAK2 (0.49) JAK2NPC1RAB9AGRM5NTRK1
SCHEMBL2830979 0.80 NPC1 (0.45) MAPK10JAK2NPC1RAB9AGRM5
SCHEMBL2833046 0.80 NTRK1 (0.47) ALDH1A1RAB9AGRM5NTRK1KMT2A
SCHEMBL2832722 0.78 TRPV4 (0.49) JAK2TRPV4GRM5
SCHEMBL2825966 0.77 SMN1; SMN2 (0.49) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL2827809 0.75 GRM5 (0.50) JAK2NPC1RAB9ATRPV4GRM5

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 ALDH1A1 913/4885LMNA 4795/4885MAPK10 3946/4885

“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.