SCHEMBL793351

SCHEMBL793351

O=c1[nH]ccc2nc(-c3c(F)cccc3Cl)sc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.47
JAK2 O60674 5/20 0.41
JAK3 P52333 1/20 0.41
GUSB P08236 1/20 0.35
PTGES O14684 6/20 0.34
SCD O00767 1/20 0.34
PSMB8 P28062 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CYP2C9 P11712 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
SCHEMBL792405 0.91 TYK2 (0.45) TYK2JAK2JAK3GUSBSCD
SCHEMBL792969 0.76 TYK2 (0.58) TYK2JAK2PTGESPSMB8
SCHEMBL11899059 0.73 TYK2 (0.55) TYK2JAK2PSMB8
SCHEMBL792995 0.73 TYK2 (0.55) TYK2JAK2PTGESPSMB8
SCHEMBL2582411 0.72 ALDH1A1 (0.44) GUSB
SCHEMBL28561318 0.72 SMN1; SMN2 (0.47) JAK2SCDPIM1PIM3
SCHEMBL11899057 0.71 TYK2 (0.58) TYK2JAK2JAK3PIM1PIM3
SCHEMBL15640871 0.70 TYK2 (0.53) TYK2JAK2PTGESPSMB8
SCHEMBL24746452 0.69 JAK2 (0.48) JAK2JAK3
SCHEMBL793642 0.69 TYK2 (0.46) TYK2JAK2PTGESPSMB8

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 544/4885JAK3 1417/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885JAK3 1417/4885

“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.