SCHEMBL793759

SCHEMBL793759

Cc1cccc(C)c1-c1nc2ccnc(Cl)c2s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.47
JAK2 O60674 1/20 0.43
ILK Q13418 4/20 0.35
SRC P12931 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NT5E P21589 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL792261 0.84 TYK2 (0.59) TYK2JAK2SRCAPP
SCHEMBL793929 0.84 TYK2 (0.44) TYK2JAK2ALDH1A1TP53GAA
SCHEMBL792295 0.83 TYK2 (0.48) TYK2JAK2ALDH1A1CYP3A4GAA
SCHEMBL793073 0.81 TYK2 (0.50) TYK2JAK2ILKALDH1A1SMN1; SMN2
SCHEMBL793886 0.81 TYK2 (0.50) TYK2JAK2SRCALDH1A1GAA
SCHEMBL791925 0.78 TYK2 (0.52) TYK2JAK2
SCHEMBL792969 0.78 TYK2 (0.58) TYK2JAK2ILKALDH1A1SMN1; SMN2
SCHEMBL15795892 0.76 APP (0.41) TYK2APPALDH1A1TP53GLA
SCHEMBL28564716 0.76 CLK1 (0.42) TYK2APPALDH1A1GLAGAA
SCHEMBL791951 0.75 TYK2 (0.41) TYK2ALDH1A1TP53GLAHPGD

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 7 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 claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
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 544/4885ILK 4153/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885ILK 4153/4885

“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.