SCHEMBL792999

SCHEMBL792999

CC(C)(C)OC(=O)Nc1cc(Cl)c(-c2nc3c(F)cnc(Nc4cc(CO)ncn4)c3s2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.43
EGFR P00533 3/20 0.36
AURKB Q96GD4 1/20 0.36
SYK P43405 1/20 0.36
MAPKAPK2 P49137 1/20 0.33
MET P08581 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CDK1 P06493 1/20 0.30
SREBF2 Q12772 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
Hydrochloric Acid SCHEMBL793483 0.82 TYK2 (0.49) TYK2
SCHEMBL792268 0.81 TYK2 (0.45) TYK2EGFRAURKBSYKMAPKAPK2
SCHEMBL793790 0.80 TYK2 (0.58) TYK2
SCHEMBL11899855 0.78 TYK2 (0.62) TYK2
SCHEMBL11960373 0.75 TYK2 (0.56) TYK2
SCHEMBL793983 0.74 TYK2 (0.63) TYK2
SCHEMBL11898665 0.73 TYK2 (0.67) TYK2EGFRAURKBMKNK2
SCHEMBL798377 0.73 TYK2 (0.48) TYK2SYKMAPKAPK2MET
SCHEMBL793428 0.71 TYK2 (0.59) TYK2
SCHEMBL792675 0.71 TYK2 (0.51) TYK2EGFR

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 229/4885EGFR 2436/4885AURKB 226/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885EGFR 2436/4885AURKB 226/4885

“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.