SCHEMBL792085

SCHEMBL792085

Fc1cccc(Cl)c1-c1nc2c(F)cncc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.40
TYK2 P29597 2/20 0.40
PTGES O14684 9/20 0.37
JAK2 O60674 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
PRNP P04156 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB8 P28062 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL792854 0.94 ILK (0.39) ILKTYK2PTGESJAK2SMN1; SMN2
SCHEMBL792336 0.88 TYK2 (0.40) ILKTYK2PTGESJAK2SMN1; SMN2
SCHEMBL792512 0.88 ILK (0.41) ILKTYK2PTGESJAK2SMN1; SMN2
SCHEMBL792394 0.84 TYK2 (0.43) ILKTYK2ALDH1A1PSMB8MAPT
SCHEMBL793107 0.83 ILK (0.46) ILKTYK2SMN1; SMN2LMNAALDH1A1
SCHEMBL793069 0.82 ALDH1A1 (0.36) ILKPTGESSMN1; SMN2LMNAALDH1A1
SCHEMBL792763 0.78 ILK (0.37) ILKSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL792833 0.77 TYK2 (0.33) ILKTYK2
SCHEMBL793275 0.77 TYK2 (0.38) ILKTYK2PTGESJAK2SMN1; SMN2
SCHEMBL793642 0.76 TYK2 (0.46) TYK2PTGESJAK2SMN1; SMN2LMNA

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 ILK 4153/4885TYK2 229/4885PTGES 3396/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ILK 4153/4885TYK2 229/4885PTGES 3396/4885

“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.