SCHEMBL797621

SCHEMBL797621

CC(C)(C)OC(=O)Nc1cc(Cl)c(-c2nc3ccnc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.53
ATR Q13535 1/20 0.45
JAK2 O60674 1/20 0.44
LCK P06239 4/20 0.41
SREBF2 Q12772 1/20 0.39
CYP17A1 P05093 1/20 0.38
MAPKAPK2 P49137 2/20 0.37
MAP4K4 O95819 1/20 0.36
AGPAT2 O15120 1/20 0.36

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
SCHEMBL11898696 0.93 TYK2 (0.46) TYK2ATRJAK2LCKSREBF2
SCHEMBL794014 0.84 TYK2 (0.53) TYK2JAK2
SCHEMBL792268 0.81 TYK2 (0.45) TYK2ATRLCKSREBF2MAPKAPK2
SCHEMBL793510 0.80 TYK2 (0.60) TYK2ATRJAK2LCK
SCHEMBL797507 0.75 TYK2 (0.53) TYK2ATRJAK2LCK
SCHEMBL792391 0.73 TYK2 (0.49) TYK2JAK2
SCHEMBL792762 0.71 TYK2 (0.47) TYK2JAK2
SCHEMBL793080 0.71 TYK2 (0.43) TYK2JAK2
SCHEMBL15795424 0.71 TYK2 (0.47) TYK2JAK2
SCHEMBL1501665 0.70 SMARCA2 (0.57) ATRCYP17A1MAPKAPK2MAP4K4

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 229/4885ATR 2146/4885JAK2 544/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885ATR 2146/4885JAK2 544/4885

“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.