SCHEMBL793589

SCHEMBL793589

Cc1nc(CO)cc(Nc2nccc3nc(-c4c(Cl)cccc4C#N)sc23)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 18/20 0.75
JAK2 O60674 6/20 0.43
LCK P06239 2/20 0.34
SRC P12931 2/20 0.33
BMPR1B O00238 1/20 0.33
PIK3CD O00329 1/20 0.33
PLK4 O00444 1/20 0.33
STK25 O00506 1/20 0.33
AURKA O14965 1/20 0.33
GAK O14976 1/20 0.33
EPHB6 O15197 1/20 0.33
MAPK13 O15264 1/20 0.33
ABCC4 O15439 1/20 0.33
MAP3K13 O43283 1/20 0.33
MAP3K7 O43318 1/20 0.33
RIPK2 O43353 1/20 0.33
DYRK3 O43781 1/20 0.33
CACNA1F O60840 1/20 0.33
STK10 O94804 1/20 0.33
ABCB11 O95342 1/20 0.33

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
Hydrochloric Acid SCHEMBL11898728 0.99 TYK2 (0.73) TYK2JAK2LCKSRCBMPR1B
SCHEMBL793016 0.88 TYK2 (0.62) TYK2JAK2
SCHEMBL807544 0.87 TYK2 (0.56) TYK2JAK2
SCHEMBL793542 0.86 TYK2 (0.58) TYK2JAK2JAK3
Hydrochloric Acid SCHEMBL793615 0.86 TYK2 (0.55) TYK2JAK2
Hydrochloric Acid SCHEMBL11899224 0.86 TYK2 (0.57) TYK2JAK2JAK3
SCHEMBL11960401 0.85 TYK2 (1.00) TYK2JAK2LCKSRC
SCHEMBL792180 0.84 TYK2 (0.54) TYK2JAK2LCKSRCBMPR1B
Hydrochloric Acid SCHEMBL792403 0.84 TYK2 (0.53) TYK2JAK2LCKSRCBMPR1B
SCHEMBL793315 0.82 TYK2 (0.56) TYK2JAK2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US claimed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO claimed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
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
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 544/4885LCK 332/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885LCK 332/4885

“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.