SCHEMBL793561

SCHEMBL793561

O=C(Nc1ccnc(Cl)c1F)c1c(Cl)cccc1Br

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 15/20 0.49
JAK2 O60674 13/20 0.49
JAK1 P23458 8/20 0.49
F2R P25116 1/20 0.44
CYP3A4 P08684 1/20 0.43
PTGES O14684 1/20 0.40
CDK9 P50750 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL793356 0.91 TYK2 (0.58) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL792054 0.87 TYK2 (0.59) TYK2JAK2JAK1PTGES
SCHEMBL1706720 0.83 TYK2 (0.55) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL793233 0.81 HTT (0.47) TYK2JAK2JAK1
SCHEMBL793330 0.77 TYK2 (0.43) TYK2JAK2JAK1
SCHEMBL793533 0.74 TYK2 (0.39) TYK2JAK2JAK1PTGES
SCHEMBL792819 0.73 TYK2 (0.52) TYK2JAK2JAK1
SCHEMBL16165254 0.73 RAB9A (0.41)
SCHEMBL3514983 0.72 TYK2 (0.79) TYK2JAK2JAK1F2RCYP3A4
SCHEMBL1707186 0.72 TYK2 (0.59) TYK2JAK2JAK1CDK9JAK3

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 544/4885JAK1 663/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885JAK1 663/4885

“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.