SCHEMBL792207

SCHEMBL792207

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.37
TYK2 P29597 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PRNP P04156 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PSMB8 P28062 1/20 0.31

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
SCHEMBL793129 0.89 TYK2 (0.39) ILKTYK2PSMB8MAPT
SCHEMBL793275 0.82 TYK2 (0.38) ILKTYK2SMN1; SMN2RAB9ANPC1
SCHEMBL792287 0.80 TYK2 (0.38) ILKTYK2SMN1; SMN2RAB9ANPC1
SCHEMBL792774 0.79 ILK (0.37) ILKTYK2SMN1; SMN2RAB9ANPC1
SCHEMBL792203 0.72 TYK2 (0.47) TYK2ALDH1A1PSMB8GABRA1GABRG2
SCHEMBL793390 0.72 TYK2 (0.45) TYK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL792453 0.72 TYK2 (0.39) ILKTYK2SMN1; SMN2LMNAPSMB8
SCHEMBL792394 0.69 TYK2 (0.43) ILKTYK2ALDH1A1PSMB8MAPT
SCHEMBL30443161 0.65 MYC (0.42) ILKSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6118694 0.65

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 ILK 4153/4885TYK2 229/4885SMN1; SMN2 1793/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ILK 4153/4885TYK2 229/4885SMN1; SMN2 1793/4885

“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.