SCHEMBL11898643

SCHEMBL11898643

N#Cc1cccc(Cl)c1-c1nc2ccnc(N)c2s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.45
JAK2 O60674 1/20 0.44
DGAT1 O75907 2/20 0.41
PSMB8 P28062 2/20 0.41
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
FGFR1 P11362 2/20 0.32
SRC P12931 2/20 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
SCHEMBL792395 0.89 TYK2 (0.47) TYK2JAK2DGAT1PSMB8GRIA1
SCHEMBL792962 0.87 TYK2 (0.55) TYK2JAK2PSMB8KDM4EMAPT
SCHEMBL792414 0.85 TYK2 (0.45) TYK2JAK2DGAT1PSMB8GRIA1
SCHEMBL11898641 0.83 TYK2 (0.48) TYK2JAK2DGAT1PSMB8KDM4E
SCHEMBL11899059 0.81 TYK2 (0.55) TYK2JAK2PSMB8KDM4EFGFR1
SCHEMBL793491 0.80 TYK2 (0.41) TYK2JAK2PSMB8
SCHEMBL793037 0.79 TYK2 (0.63) TYK2JAK2
SCHEMBL793315 0.79 TYK2 (0.56) TYK2JAK2MAPT
Hydrochloric Acid SCHEMBL11898749 0.79 TYK2 (0.55) TYK2JAK2MAPT
SCHEMBL11900124 0.78 TYK2 (0.52) TYK2DGAT1PSMB8KDM4EMAPT

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 9 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-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 544/4885DGAT1 3653/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885DGAT1 3653/4885

“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.