SCHEMBL2829369

SCHEMBL2829369

COc1cccc(Nc2scnc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
MAPK1 P28482 2/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
CSNK2A1 P68400 3/20 0.53
CYP1A2 P05177 1/20 0.52
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
GFER P55789 2/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 4/20 0.49
GAA P10253 1/20 0.49
MTNR1B P49286 2/20 0.49
MTNR1A P48039 1/20 0.49
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL2828639 0.86 MAPT (0.52) KMT2AMEN1MAPK1PKMHTT
SCHEMBL2828075 0.84 EGFR (0.57) KMT2AMEN1MAPK1PKMHTT
SCHEMBL2828460 0.80 AKR1C3 (0.52) KMT2AMEN1HTTAKR1C3AKR1C2
SCHEMBL2826686 0.80 KDM4E (0.54) CSNK2A1CSNK2A2CSNK2B
SCHEMBL2825916 0.80 CSNK2A1 (0.50) KMT2AMEN1CSNK2A1CYP1A2CSNK2A2
SCHEMBL2825636 0.80 CSNK2A1 (0.48) KMT2AMEN1HTTAKR1C3AKR1C2
SCHEMBL16296028 0.78 PGR (0.51) KMT2AMEN1MAPK1PKMHTT
SCHEMBL2825943 0.76 HTT (0.47) KMT2AMEN1HTTCSNK2A1CSNK2A2
SCHEMBL983442 0.76 KDM4E (0.63) KMT2AMEN1HTTCSNK2A1NPC1
SCHEMBL2829830 0.75 SMN1; SMN2 (0.53) KMT2AMEN1MAPK1PKMHTT

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 KMT2A 1012/4885MEN1 2558/4885MAPK1 3598/4885

“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.