SCHEMBL2826326

SCHEMBL2826326

Cc1nc(C(=O)O)c(Nc2cccc(-c3cnco3)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.51
IMPDH2 P12268 1/20 0.45
EDNRA P25101 1/20 0.45
PFKFB3 Q16875 1/20 0.43
PFKFB4 Q16877 1/20 0.43
RAF1 P04049 2/20 0.43
GRM5 P41594 6/20 0.43
CREBBP Q92793 1/20 0.43
HDAC4 P56524 1/20 0.41
IL2 P60568 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP4K4 O95819 1/20 0.40
NTRK1 P04629 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2826666 0.76 ROCK1 (0.46) GRM5MEN1KMT2ASYK
SCHEMBL2827195 0.76 GRM5 (0.47) GRM5MEN1KMT2AKDM4ENPC1
SCHEMBL2830050 0.75 BRAF (0.46) BRAFIMPDH2EDNRAPFKFB3PFKFB4
SCHEMBL2829641 0.75 NTRK1 (0.44) GRM5CREBBPKMT2ANTRK1KDM4E
SCHEMBL16238452 0.75 IMPDH2 (0.61) BRAFIMPDH2EDNRACREBBPHDAC4
SCHEMBL2828221 0.75 LDHA (0.51) GRM5MEN1KMT2AKDM4EALDH1A1
SCHEMBL2826680 0.74 GRM5 (0.66) GRM5KDM4ENPC1PKMRAB9A
SCHEMBL2827142 0.74 GRM5 (0.47) GRM5SYK
SCHEMBL2826990 0.73 CFD (0.43) GRM5
SCHEMBL2828635 0.73 KMT2A (0.49) MEN1KMT2AALDH1A1LMNAPKM

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 BRAF 4343/4885IMPDH2 2952/4885EDNRA 263/4885

“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.