SCHEMBL793129

SCHEMBL793129

N#Cc1cccc(Cl)c1-c1nc2c(F)c[n+]([O-])cc2s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.39
PSMB8 P28062 2/20 0.36
ILK Q13418 1/20 0.33
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
NR1H4 Q96RI1 1/20 0.30
DGAT1 O75907 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL792207 0.89 ILK (0.37) TYK2PSMB8ILKMAPT
SCHEMBL792774 0.89 ILK (0.37) TYK2PSMB8ILKMAPT
SCHEMBL793275 0.87 TYK2 (0.38) TYK2PSMB8ILKMAPT
SCHEMBL792910 0.81 TYK2 (0.45) TYK2
SCHEMBL792394 0.81 TYK2 (0.43) TYK2PSMB8ILKGRIA1CACNG8
SCHEMBL792453 0.76 TYK2 (0.39) TYK2PSMB8ILK
SCHEMBL792091 0.75 TYK2 (0.48) TYK2PSMB8GRIA1CACNG8DGAT1
SCHEMBL791839 0.74 TYK2 (0.49) TYK2PSMB8GRIA1CACNG8DGAT1
SCHEMBL11900124 0.74 TYK2 (0.52) TYK2PSMB8ILKDGAT1TP53
SCHEMBL11900120 0.70 TYK2 (0.47) TYK2PSMB8GRIA1CACNG8DGAT1

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 229/4885PSMB8 2354/4885ILK 4153/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885PSMB8 2354/4885ILK 4153/4885

“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.