SCHEMBL792203

SCHEMBL792203

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.47
PSMB8 P28062 2/20 0.35
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KHK P50053 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
BCAT1 P54687 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
SCHEMBL792091 0.92 TYK2 (0.48) TYK2PSMB8ALDH1A1NPSR1TDP1
SCHEMBL793390 0.85 TYK2 (0.45) TYK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL793642 0.83 TYK2 (0.46) TYK2PSMB8ADORA3ADORA2AADORA1
SCHEMBL792772 0.80 TYK2 (0.43) TYK2PSMB8ADORA3ADORA2AADORA1
SCHEMBL11900124 0.80 TYK2 (0.52) TYK2PSMB8ALDH1A1NPSR1KHK
SCHEMBL791839 0.80 TYK2 (0.49) TYK2PSMB8ADORA2A
SCHEMBL792706 0.78 TYK2 (0.61) TYK2PSMB8KHK
SCHEMBL11900120 0.77 TYK2 (0.47) TYK2PSMB8
SCHEMBL792287 0.76 TYK2 (0.38) TYK2PSMB8GABRA1GABRG2GABRB3
SCHEMBL792130 0.75 TYK2 (0.76) TYK2GABRA1GABRG2GABRB3GABRA5

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 2354/4885GABRA1 1006/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885PSMB8 2354/4885GABRA1 1006/4885

“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.