SCHEMBL792704

SCHEMBL792704

CC(C)OC(=O)Nc1nccc2nc(-c3c(F)cccc3Cl)sc12

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 15/20 0.70
JAK2 O60674 4/20 0.57
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
PIM1 P11309 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
SCHEMBL793802 0.93 TYK2 (0.80) TYK2JAK2HPGDALOX15
SCHEMBL792586 0.90 TYK2 (0.86) TYK2JAK2HPGDKDM4EPPARG
SCHEMBL793404 0.86 TYK2 (0.70) TYK2JAK2KDM4E
SCHEMBL11899895 0.85 TYK2 (0.73) TYK2JAK2KDM4EPPARGNCOA2
SCHEMBL793378 0.84 TYK2 (0.75) TYK2JAK2KDM4E
SCHEMBL807705 0.84 TYK2 (0.81) TYK2JAK2
SCHEMBL793104 0.82 TYK2 (1.00) TYK2JAK2HPGDKDM4E
SCHEMBL792753 0.82 TYK2 (0.86) TYK2JAK2
SCHEMBL791838 0.81 TYK2 (0.69) TYK2JAK2PIM1
SCHEMBL793075 0.81 TYK2 (0.70) TYK2JAK2PIM1

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 13 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-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
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 544/4885HPGD 2713/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885HPGD 2713/4885

“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.