SCHEMBL792772

SCHEMBL792772

Fc1cnc(Cl)c2sc(-c3c(Cl)cccc3Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.43
JAK2 O60674 2/20 0.39
PSMB8 P28062 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PTGES O14684 3/20 0.33
FGFR1 P11362 1/20 0.31
SRC P12931 1/20 0.31
LMNA P02545 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ILK Q13418 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL793642 0.94 TYK2 (0.46) TYK2JAK2PSMB8ADORA3ADORA2A
SCHEMBL792091 0.87 TYK2 (0.48) TYK2JAK2PSMB8ADORA2A
SCHEMBL793202 0.86 TYK2 (0.41) TYK2JAK2PSMB8ADORA3ADORA2A
SCHEMBL793584 0.86 TYK2 (0.44) TYK2JAK2FGFR1SRCLMNA
SCHEMBL792546 0.83 TYK2 (0.43) TYK2
SCHEMBL791822 0.81 TYK2 (0.49) TYK2JAK2PTGESFGFR1SRC
SCHEMBL792565 0.81 TYK2 (0.47) TYK2JAK2ADORA3ADORA2AADORA1
SCHEMBL792203 0.80 TYK2 (0.47) TYK2PSMB8ADORA3ADORA2AADORA1
SCHEMBL792706 0.80 TYK2 (0.61) TYK2PSMB8
SCHEMBL792619 0.76 TYK2 (0.55) TYK2JAK2FGFR1SRC

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 229/4885JAK2 544/4885PSMB8 2354/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885PSMB8 2354/4885

“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.