SCHEMBL792962

SCHEMBL792962

Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.55
JAK2 O60674 1/20 0.54
PSMB8 P28062 1/20 0.39
FGFR1 P11362 2/20 0.38
SRC P12931 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NR4A2 P43354 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
SCHEMBL11899059 0.90 TYK2 (0.55) TYK2JAK2PSMB8FGFR1SRC
SCHEMBL11898643 0.87 TYK2 (0.45) TYK2JAK2PSMB8FGFR1SRC
SCHEMBL11898856 0.87 TYK2 (0.43) TYK2JAK2
SCHEMBL792261 0.86 TYK2 (0.59) TYK2JAK2PSMB8FGFR1SRC
Hydrochloric Acid SCHEMBL11898812 0.85 TYK2 (0.42) TYK2JAK2
SCHEMBL793886 0.82 TYK2 (0.50) TYK2JAK2PSMB8FGFR1SRC
SCHEMBL792647 0.82 TYK2 (0.55) TYK2JAK2PSMB8
SCHEMBL793491 0.81 TYK2 (0.41) TYK2JAK2PSMB8
SCHEMBL11898741 0.81 TYK2 (0.47) TYK2JAK2PSMB8FGFR1SRC
SCHEMBL791925 0.77 TYK2 (0.52) TYK2JAK2PSMB8

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 229/4885JAK2 544/4885PSMB8 2354/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885PSMB8 2354/4885

“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.