SCHEMBL792819

SCHEMBL792819

N#Cc1cc(Cl)c(C(=O)Nc2ccnc(Cl)c2F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.52
JAK2 O60674 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
KMT2A Q03164 1/20 0.42
ACLY P53396 1/20 0.41
PPARG P37231 1/20 0.40
JAK1 P23458 1/20 0.40
PKM P14618 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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 0.94 TYK2 (0.55) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL793330 0.84 TYK2 (0.43) TYK2JAK2JAK1
SCHEMBL793356 0.81 TYK2 (0.58) TYK2JAK2KMT2AJAK1
SCHEMBL1707726 0.81 TYK2 (0.48) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL12989018 0.80 TYK2 (0.47) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL793533 0.79 TYK2 (0.39) TYK2JAK2KMT2AJAK1
SCHEMBL3515207 0.79 TYK2 (0.65) TYK2JAK2TAS1R3TAS1R1TAS1R2
SCHEMBL792054 0.75 TYK2 (0.59) TYK2JAK2KMT2AJAK1PKM
SCHEMBL793561 0.73 TYK2 (0.49) TYK2JAK2JAK1
SCHEMBL1706769 0.73 TYK2 (0.65) TYK2JAK2TAS1R3TAS1R1TAS1R2

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 544/4885TAS1R3 2489/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885TAS1R3 2489/4885

“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.