SCHEMBL792555

SCHEMBL792555

Clc1nccc2nc(-c3ccccc3Br)sc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.43
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
JAK2 O60674 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL792876 0.84 TYK2 (0.56) TYK2ALDH1A1HPGDDCTPP1JAK2
SCHEMBL793425 0.83 TYK2 (0.44) TYK2ALDH1A1HPGDJAK2KDM4E
SCHEMBL792295 0.82 TYK2 (0.48) TYK2ALDH1A1HPGDDCTPP1JAK2
SCHEMBL791925 0.79 TYK2 (0.52) TYK2JAK2
SCHEMBL791570 0.79 TYK2 (0.46) TYK2ALDH1A1HPGDJAK2
SCHEMBL793498 0.78 ALDH1A1 (0.45) TYK2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL28564716 0.78 CLK1 (0.42) TYK2ALDH1A1HPGDKDM4EMEN1
SCHEMBL793142 0.77 TYK2 (0.40) TYK2ALDH1A1HPGDJAK2POLB
SCHEMBL793929 0.77 TYK2 (0.44) TYK2ALDH1A1HPGDJAK2KDM4E
SCHEMBL792714 0.75 F2RL3 (0.41) TYK2ALDH1A1HPGD

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 7 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 claimed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US claimed
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 229/4885ALDH1A1 1372/4885HPGD 2713/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885ALDH1A1 1372/4885HPGD 2713/4885

“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.