SCHEMBL2829990

SCHEMBL2829990

CCNc1scnc1C(=O)Nc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
FLT1 P17948 1/20 0.51
KDR P35968 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 2/20 0.48
FLT3 P36888 1/20 0.47
MAP4K1 Q92918 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.47
HCRTR2 O43614 1/20 0.46
NAMPT P43490 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNH2 Q12809 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL2827214 0.87 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2830965 0.86 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2829103 0.85 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2826489 0.84 KMT2A (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2829382 0.83 KMT2A (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2827185 0.82 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2824725 0.81 KMT2A (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2830832 0.80 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2827700 0.80 MEN1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2829315 0.80 LMNA (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 MEN1 2558/4885KMT2A 1012/4885SMN1; SMN2 3071/4885

“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.