SCHEMBL2824736

SCHEMBL2824736

Cc1nc(C(=O)O)c(Nc2ccnn2C)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
GRM5 P41594 7/20 0.37
NTRK1 P04629 3/20 0.36
MAPK3 P27361 2/20 0.36
MAPK1 P28482 2/20 0.36
MAP2K1 Q02750 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL2829795 0.83 ALDH1A1 (0.35) KMT2AGRM5NTRK1MAPK1ALDH1A1
SCHEMBL2826090 0.79 ALDH1A1 (0.34) GRM5NTRK1MAPK1ALDH1A1
SCHEMBL2832103 0.78 SMN1; SMN2 (0.46) KMT2AGRM5NTRK1KDM4E
SCHEMBL2827809 0.74 GRM5 (0.50) KMT2AGRM5NTRK1KDM4E
SCHEMBL4908203 0.74 MAPK1 (0.39) KMT2AGRM5MAPK3MAPK1MAP2K1
SCHEMBL2828824 0.74 HDAC3 (0.40) KMT2ANTRK1KDM4EALDH1A1LRRK2
SCHEMBL2825794 0.73 PTK2 (0.42) GRM5ALDH1A1
SCHEMBL2826517 0.73 NPC1 (0.42) GRM5NTRK1MAPK1KDM4EALDH1A1
SCHEMBL2826373 0.73 KCNJ6 (0.36) NTRK1LRRK2
SCHEMBL2829903 0.73 GRM5 (0.41) KMT2AGRM5NTRK1KDM4EALDH1A1

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 12 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
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
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 KMT2A 1012/4885GRM5 4/4885NTRK1 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.