SCHEMBL792997

SCHEMBL792997

N#Cc1cc(F)c(C(=O)N(C(=O)c2c(F)cc(C#N)cc2Cl)c2ccnc(Cl)c2F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.44
JAK2 O60674 1/20 0.44
GRM5 P41594 5/20 0.37
PPARG P37231 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
S1PR3 Q99500 1/20 0.31
ACLY P53396 1/20 0.31

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
SCHEMBL793181 0.78 TYK2 (0.55) TYK2JAK2PPARGSIRT2ACLY
SCHEMBL793183 0.74 TYK2 (0.42) TYK2JAK2GRM5
SCHEMBL793182 0.74 TYK2 (0.42) TYK2JAK2GRM5
SCHEMBL792819 0.73 TYK2 (0.52) TYK2JAK2PPARGSIRT2ACLY
SCHEMBL794012 0.70 TYK2 (0.45) TYK2JAK2ACLY
SCHEMBL792494 0.70 TYK2 (0.42) TYK2JAK2ACLY
SCHEMBL792708 0.69 GRM5 (0.39) TYK2JAK2GRM5PPARG
SCHEMBL792709 0.69 GRM5 (0.39) TYK2JAK2GRM5PPARG
SCHEMBL793644 0.69 TYK2 (0.41) TYK2JAK2ACLY
SCHEMBL1706239 0.68 TYK2 (0.64) TYK2JAK2PPARG

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 544/4885GRM5 532/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885GRM5 532/4885

“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.