SCHEMBL793567

SCHEMBL793567

O=C(O)Nc1cc(F)c(-c2nc3ccnc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.47
JAK2 O60674 1/20 0.43
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MGLL Q99685 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ABL1 P00519 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 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
SCHEMBL11898696 0.85 TYK2 (0.46) TYK2JAK2
SCHEMBL794014 0.81 TYK2 (0.53) TYK2JAK2SMN1; SMN2DYRK1AMAPT
SCHEMBL792875 0.77 TYK2 (0.41) TYK2JAK2
SCHEMBL797621 0.76 TYK2 (0.53) TYK2JAK2
SCHEMBL11899895 0.76 TYK2 (0.73) TYK2JAK2NPC1RAB9A
SCHEMBL791724 0.74 TYK2 (0.42) TYK2JAK2
SCHEMBL792969 0.73 TYK2 (0.58) TYK2JAK2SMN1; SMN2MAPK1RAB9A
SCHEMBL793073 0.71 TYK2 (0.50) TYK2JAK2SMN1; SMN2NPC1RAB9A
SCHEMBL793004 0.71 TYK2 (0.77) TYK2JAK2
SCHEMBL792762 0.71 TYK2 (0.47) TYK2JAK2

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 544/4885THRA 531/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885THRA 531/4885

“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.