SCHEMBL793272

SCHEMBL793272

Fc1cncc(F)c1/N=C(\Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 5/20 0.33
MAPK7 Q13164 3/20 0.33
MAPK14 Q16539 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PBRM1 Q86U86 1/20 0.32
CYP3A4 P08684 1/20 0.32
TLR8 Q9NR97 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 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
SCHEMBL793273 1.00 LMNA (0.39) LMNAHTTALDH1A1JAK2JAK1
SCHEMBL793011 0.94 JAK2 (0.41) LMNAHTTALDH1A1JAK2JAK1
SCHEMBL793010 0.94 JAK2 (0.41) LMNAHTTALDH1A1JAK2JAK1
SCHEMBL11898796 0.84 JAK2 (0.37) LMNAHTTJAK2JAK1TYK2
SCHEMBL11898795 0.84 JAK2 (0.37) LMNAHTTJAK2JAK1TYK2
SCHEMBL792657 0.84 ALDH1A1 (0.39) LMNAHTTALDH1A1JAK2JAK1
SCHEMBL792658 0.84 ALDH1A1 (0.39) LMNAHTTALDH1A1JAK2JAK1
SCHEMBL794030 0.81
SCHEMBL794029 0.81
SCHEMBL792912 0.77 KCNJ6 (0.39) JAK2TYK2

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 LMNA 2558/4885HTT 1676/4885ALDH1A1 1372/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R LMNA 2558/4885HTT 1676/4885ALDH1A1 1372/4885

“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.