SCHEMBL791822

SCHEMBL791822

Nc1ncc(F)c2nc(-c3c(F)cccc3Cl)sc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.49
ILK Q13418 2/20 0.38
FGFR1 P11362 2/20 0.36
SRC P12931 2/20 0.36
PTGES O14684 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR5A P47898 1/20 0.33
PTPN11 Q06124 1/20 0.33
CLK1 P49759 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
SCHEMBL793584 0.95 TYK2 (0.44) TYK2ILKFGFR1SRCSMN1; SMN2
SCHEMBL793642 0.86 TYK2 (0.46) TYK2PTGESSMN1; SMN2JAK2LMNA
SCHEMBL11900124 0.86 TYK2 (0.52) TYK2ILKFGFR1SRCSMN1; SMN2
SCHEMBL792565 0.84 TYK2 (0.47) TYK2PTGESJAK2
SCHEMBL792772 0.81 TYK2 (0.43) TYK2ILKFGFR1SRCPTGES
SCHEMBL11899059 0.79 TYK2 (0.55) TYK2ILKFGFR1SRCSMN1; SMN2
SCHEMBL793202 0.78 TYK2 (0.41) TYK2PTGESJAK2
SCHEMBL793559 0.78 TYK2 (0.80) TYK2FGFR1SRCJAK2
Hydrochloric Acid SCHEMBL793362 0.77 TYK2 (0.78) TYK2FGFR1SRCJAK2
SCHEMBL11899019 0.76 TYK2 (0.59) TYK2ILKJAK2CLK1

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 229/4885ILK 4153/4885FGFR1 2738/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885ILK 4153/4885FGFR1 2738/4885

“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.