SCHEMBL2828472

SCHEMBL2828472

Cc1cc(NC(=O)c2nc(C)sc2NC(=O)OC(C)(C)C)ccn1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.62
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
HDAC4 P56524 1/20 0.41
SORT1 Q99523 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATR Q13535 1/20 0.40
METAP1 P53582 1/20 0.39
PRKCI P41743 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL2828893 0.82 GRM5 (0.60) GRM5
SCHEMBL2846386 0.81 GRM5 (0.53) GRM5SMARCA2SMARCA4HDAC4SORT1
SCHEMBL30293080 0.81 SMARCA2 (0.57) SMARCA2SMARCA4SORT1MEN1KMT2A
SCHEMBL16055308 0.81 SMARCA2 (0.57) SMARCA2SMARCA4SORT1MEN1KMT2A
SCHEMBL4908439 0.80 METAP1 (0.45) GRM5SMARCA2SMARCA4HDAC4SORT1
SCHEMBL2521302 0.74 CA1 (0.40) MEN1KMT2ANPC1RAB9ALCK
SCHEMBL2829389 0.74 GRM5 (0.69) GRM5RAB9A
SCHEMBL2830779 0.74 GRM5 (0.71) GRM5SORT1MEN1KMT2ANPC1
SCHEMBL21781666 0.73 RAF1 (0.44) ATRLCK
SCHEMBL2826306 0.72 GRM5 (0.74) GRM5SORT1MEN1KMT2AATR

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 5 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 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 4/4885SMARCA2 4152/4885SMARCA4 3919/4885

“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.