SCHEMBL791570

SCHEMBL791570

Clc1cccc(-c2nc3ccnc(Cl)c3s2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.46
JAK2 O60674 1/20 0.43
TLR7 Q9NYK1 1/20 0.40
HTR2C P28335 3/20 0.37
GRM5 P41594 1/20 0.36
PSMB8 P28062 1/20 0.36
PTPN11 Q06124 1/20 0.35
PANK3 Q9H999 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAOA P21397 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
SCN4A P35499 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE3A Q14432 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35

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
SCHEMBL792876 0.88 TYK2 (0.56) TYK2JAK2ALDH1A1HPGDCYP19A1
SCHEMBL792261 0.83 TYK2 (0.59) TYK2JAK2PSMB8
SCHEMBL793425 0.80 TYK2 (0.44) TYK2JAK2ALDH1A1HPGD
SCHEMBL793929 0.79 TYK2 (0.44) TYK2JAK2MAPK1ALDH1A1HPGD
SCHEMBL793142 0.79 TYK2 (0.40) TYK2JAK2ALDH1A1HPGD
SCHEMBL792555 0.79 TYK2 (0.43) TYK2JAK2ALDH1A1HPGD
SCHEMBL792295 0.79 TYK2 (0.48) TYK2JAK2ALDH1A1HPGD
SCHEMBL793886 0.77 TYK2 (0.50) TYK2JAK2PSMB8ALDH1A1
SCHEMBL791925 0.77 TYK2 (0.52) TYK2JAK2PSMB8
SCHEMBL792969 0.77 TYK2 (0.58) TYK2JAK2PSMB8MAPK1ALDH1A1

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 7 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 claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
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 544/4885TLR7 477/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885TLR7 477/4885

“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.