SCHEMBL2826282

SCHEMBL2826282

CCOC(=O)c1nc(C)sc1Nc1cncc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ILK Q13418 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL2829433 0.85 GRM5 (0.43) GRM5
SCHEMBL2829463 0.81 GRM5 (0.54) GRM5ALDH1A1MAPTHTTILK
SCHEMBL2826958 0.77 GRM5 (0.60) GRM5ALDH1A1MAPTHTTILK
SCHEMBL30668005 0.72 HPGD (0.37) GRM5ALDH1A1MAPTHTTCYP1A2
SCHEMBL26684413 0.72 HPGD (0.37) GRM5ALDH1A1MAPTHTTCYP1A2
SCHEMBL2828821 0.70 CDC7 (0.41) GRM5ALDH1A1MAPTHTTILK
SCHEMBL509479 0.70 CYP2C9 (0.62) GRM5ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL27087507 0.70 POLB (0.49) ALDH1A1MAPTHTTHPGDKDM4E
SCHEMBL2826277 0.70 NPC1 (0.40) GRM5MAPTHTTCYP3A4HPGD
SCHEMBL13263371 0.70 ALDH1A1 (0.47) ALDH1A1MAPTHTTILKCYP1A2

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 4/4885ALDH1A1 913/4885MAPT 3444/4885

“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.