SCHEMBL793590

SCHEMBL793590

CS(=O)(=O)c1ncnc2nc(-c3c(Cl)cccc3Cl)sc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.52
JAK2 O60674 1/20 0.37
TRPV1 Q8NER1 2/20 0.35
EGFR P00533 1/20 0.32
PTGS2 P35354 4/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
RIPK2 O43353 2/20 0.31
ACVR1 Q04771 2/20 0.31
NOD2 Q9HC29 2/20 0.31
SCN3A Q9NY46 1/20 0.31
LIMK1 P53667 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
SCHEMBL793594 0.76 TYK2 (0.54) TYK2JAK2TRPV1EGFRTRPM8
SCHEMBL29439774 0.76 LIMK1 (0.35) TYK2EGFRLIMK1
SCHEMBL22715521 0.76 LIMK1 (0.35) TYK2EGFRLIMK1
SCHEMBL793082 0.76 TYK2 (0.51) TYK2JAK2TRPV1EGFRTRPM8
SCHEMBL29472113 0.75 PTGS2 (0.31) EGFRPTGS2LIMK1
SCHEMBL2372107 0.71 GUSB (0.38) TYK2JAK2
SCHEMBL793488 0.69 TYK2 (0.64) TYK2JAK2TRPV1EGFR
SCHEMBL793035 0.68 TYK2 (0.68) TYK2JAK2TRPV1EGFR
SCHEMBL793007 0.67 TYK2 (0.57) TYK2JAK2TRPV1EGFR
SCHEMBL792176 0.67 TYK2 (0.60) TYK2JAK2TRPV1EGFR

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 544/4885TRPV1 2398/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885TRPV1 2398/4885

“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.