SCHEMBL792156

SCHEMBL792156

Cc1cc(Nc2nccc3nc(-c4c(F)cc(C#N)cc4Cl)sc23)nc(C)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 18/20 0.69
JAK2 O60674 6/20 0.43
JAK3 P52333 2/20 0.43
JAK1 P23458 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.32
MAPK13 O15264 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
YES1 P07947 1/20 0.31
LYN P07948 1/20 0.31
HCK P08631 1/20 0.31
FGR P09769 1/20 0.31
KIT P10721 1/20 0.31
BCR P11274 1/20 0.31
SRC P12931 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
SCHEMBL11898568 0.94 TYK2 (0.75) TYK2JAK2JAK3JAK1CDK2
SCHEMBL792089 0.90 TYK2 (0.70) TYK2JAK2JAK3JAK1CDK2
SCHEMBL792025 0.89 TYK2 (0.65) TYK2JAK2JAK3JAK1CDK2
SCHEMBL11960390 0.88 TYK2 (0.90) TYK2JAK2JAK3JAK1CDK2
SCHEMBL798949 0.85 TYK2 (0.76) TYK2JAK2JAK3JAK1CDK2
SCHEMBL792948 0.84 TYK2 (0.62) TYK2JAK2JAK3JAK1CDK2
SCHEMBL792950 0.84 TYK2 (0.62) TYK2JAK2JAK3JAK1CDK2
SCHEMBL793041 0.84 TYK2 (0.72) TYK2JAK2JAK3MAPK13ABL1
Hydrochloric Acid SCHEMBL793536 0.84 TYK2 (0.61) TYK2JAK2JAK3JAK1CDK2
SCHEMBL792697 0.83 TYK2 (0.56) TYK2JAK2JAK3JAK1CDK2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US claimed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO claimed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
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
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US 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 544/4885JAK3 1417/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885JAK3 1417/4885

“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.