SCHEMBL792268

SCHEMBL792268

CC(C)(C)OC(=O)Nc1cc(Cl)c(-c2nc3c(F)cnc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.45
SYK P43405 1/20 0.39
MAPKAPK2 P49137 3/20 0.35
LCK P06239 4/20 0.35
ATR Q13535 1/20 0.34
EGFR P00533 1/20 0.34
AURKB Q96GD4 1/20 0.34
RORC P51449 1/20 0.34
EGLN2 Q96KS0 2/20 0.33
S1PR3 Q99500 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
SREBF2 Q12772 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
SCHEMBL792999 0.81 TYK2 (0.43) TYK2SYKMAPKAPK2EGFRAURKB
SCHEMBL797621 0.81 TYK2 (0.53) TYK2MAPKAPK2LCKATRSREBF2
SCHEMBL11898696 0.80 TYK2 (0.46) TYK2SYKMAPKAPK2LCKATR
SCHEMBL798377 0.77 TYK2 (0.48) TYK2SYKMAPKAPK2LCKRORC
SCHEMBL33526064 0.73 LCK (0.44) SYKMAPKAPK2LCKATR
SCHEMBL2015768 0.72 SYK (0.44) SYKMAPKAPK2ATRRORCEGLN2
SCHEMBL29509761 0.72 SYK (0.44) SYKMAPKAPK2ATRRORCEGLN2
SCHEMBL1010435 0.71 ATR (0.46) MAPKAPK2ATRRORC
SCHEMBL792772 0.70 TYK2 (0.43) TYK2
SCHEMBL15575765 0.69 HTT (0.41) SYKATREGFRAURKBRORC

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 229/4885SYK 480/4885MAPKAPK2 4438/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885SYK 480/4885MAPKAPK2 4438/4885

“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.