SCHEMBL2829903

SCHEMBL2829903

Cc1nc(C(=O)O)c(Nc2ncccn2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.41
NTRK1 P04629 5/20 0.40
TRPV4 Q9HBA0 1/20 0.40
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
MYC P01106 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
RAB9A P51151 2/20 0.34
RECQL P46063 1/20 0.34

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) GRM5NTRK1TRPV4KDM4EKMT2A
SCHEMBL2833046 0.81 NTRK1 (0.47) GRM5NTRK1MYCKDM4EKMT2A
SCHEMBL2826672 0.78 RAB9A (0.42) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL2827809 0.77 GRM5 (0.50) GRM5NTRK1TRPV4KDM4EKMT2A
SCHEMBL2829308 0.77 GRM5 (0.44) GRM5KDM4EHCAR2RAB9ANPC1
SCHEMBL2828850 0.76 JAK2 (0.51) GRM5KMT2AMAPTRAB9ANPC1
SCHEMBL2829922 0.76 GRM5 (0.46) GRM5NTRK1CDK4RAB9ARECQL
SCHEMBL2826680 0.76 GRM5 (0.66) GRM5TRPV4KDM4EMAPTRAB9A
SCHEMBL2831124 0.76 GRM5 (0.64) GRM5NTRK1KDM4EKMT2ARAB9A
SCHEMBL2825787 0.74 NTRK1 (0.40) GRM5NTRK1KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 CN claimed
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
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN 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
CN-101137653-B Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2012-05-09 CN disclosed
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
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN 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 4/4885NTRK1 330/4885TRPV4 232/4885

“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.