SCHEMBL2829922

SCHEMBL2829922

Cc1nc(C(=O)O)c(Nc2cccnn2)s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
LCK P06239 2/20 0.42
NTRK1 P04629 3/20 0.39
GOT1 P17174 1/20 0.36
JAK2 O60674 2/20 0.34
FFAR2 O15552 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
FAAH O00519 1/20 0.33
BTK Q06187 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
SCHEMBL2826494 0.82 ALDH1A1 (0.49) GRM5LCKNTRK1JAK2RAB9A
SCHEMBL5197404 0.82 LCK (0.37) GRM5LCKGOT1JAK2FFAR2
SCHEMBL2833046 0.76 NTRK1 (0.47) GRM5NTRK1RECQLRAB9A
SCHEMBL2828850 0.76 JAK2 (0.51) GRM5LCKJAK2RAB9A
SCHEMBL2826680 0.76 GRM5 (0.66) GRM5JAK2RAB9A
SCHEMBL2829903 0.76 GRM5 (0.41) GRM5NTRK1RECQLRAB9ACDK4
SCHEMBL2827809 0.74 GRM5 (0.50) GRM5NTRK1JAK2RECQLRAB9A
SCHEMBL2829308 0.74 GRM5 (0.44) GRM5LCKRAB9A
SCHEMBL2826711 0.74 LMNA (0.41) GRM5NTRK1RAB9A
SCHEMBL2830979 0.74 NPC1 (0.45) GRM5JAK2RAB9A

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 8 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
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 GRM5 4/4885LCK 2212/4885NTRK1 330/4885

“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.