SCHEMBL792091

SCHEMBL792091

N#Cc1cccc(Cl)c1-c1nc2c(F)cnc(Cl)c2s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.48
PSMB8 P28062 2/20 0.37
DGAT1 O75907 1/20 0.32
JAK2 O60674 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 1/20 0.31
KHK P50053 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CYP11B2 P19099 1/20 0.30
HTT P42858 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL792203 0.92 TYK2 (0.47) TYK2PSMB8ALDH1A1NPSR1TDP1
SCHEMBL11900124 0.88 TYK2 (0.52) TYK2PSMB8DGAT1ALDH1A1NPSR1
SCHEMBL791839 0.88 TYK2 (0.49) TYK2PSMB8DGAT1GRIA1CACNG8
SCHEMBL792772 0.87 TYK2 (0.43) TYK2PSMB8JAK2ADORA2A
SCHEMBL793642 0.85 TYK2 (0.46) TYK2PSMB8JAK2ADORA2AHTT
SCHEMBL11900120 0.85 TYK2 (0.47) TYK2PSMB8DGAT1JAK2GRIA1
SCHEMBL792394 0.80 TYK2 (0.43) TYK2PSMB8DGAT1GRIA1CACNG8
SCHEMBL792706 0.79 TYK2 (0.61) TYK2PSMB8KHK
SCHEMBL792174 0.79 TYK2 (0.74) TYK2JAK2
SCHEMBL793928 0.78 TYK2 (0.81) TYK2DGAT1JAK2ADORA2A

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
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 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 (2 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885PSMB8 2354/4885DGAT1 3653/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885PSMB8 2354/4885DGAT1 3653/4885

“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.