SCHEMBL793642

SCHEMBL793642

Fc1cccc(Cl)c1-c1nc2c(F)cnc(Cl)c2s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.46
PTGES O14684 7/20 0.36
JAK2 O60674 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PSMB8 P28062 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
WEE1 P30291 1/20 0.32
HTR5A P47898 1/20 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
SCHEMBL792772 0.94 TYK2 (0.43) TYK2PTGESJAK2ADORA3ADORA2A
SCHEMBL792565 0.86 TYK2 (0.47) TYK2PTGESJAK2ADORA3ADORA2A
SCHEMBL791822 0.86 TYK2 (0.49) TYK2PTGESJAK2LMNASMN1; SMN2
SCHEMBL792091 0.85 TYK2 (0.48) TYK2JAK2ADORA2APSMB8HTT
SCHEMBL792203 0.83 TYK2 (0.47) TYK2ADORA3ADORA2AADORA1PSMB8
SCHEMBL793584 0.81 TYK2 (0.44) TYK2JAK2LMNASMN1; SMN2
SCHEMBL793202 0.81 TYK2 (0.41) TYK2PTGESJAK2ADORA3ADORA2A
SCHEMBL792969 0.79 TYK2 (0.58) TYK2PTGESJAK2ADORA3ADORA2A
SCHEMBL792546 0.78 TYK2 (0.43) TYK2
SCHEMBL793396 0.77 TYK2 (0.46) TYK2PTGESJAK2LMNAMAPK1

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 229/4885PTGES 3396/4885JAK2 544/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885PTGES 3396/4885JAK2 544/4885

“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.