SCHEMBL792876

SCHEMBL792876

Clc1ccccc1-c1nc2ccnc(Cl)c2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.56
MAOB P27338 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK2 O60674 1/20 0.41
CYP19A1 P11511 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL791570 0.88 TYK2 (0.46) TYK2ALDH1A1HPGDJAK2CYP19A1
SCHEMBL793425 0.86 TYK2 (0.44) TYK2ALDH1A1KDM4EHPGDJAK2
SCHEMBL792295 0.84 TYK2 (0.48) TYK2ALDH1A1KDM4EHPGDJAK2
SCHEMBL792555 0.84 TYK2 (0.43) TYK2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL792261 0.82 TYK2 (0.59) TYK2JAK2MEN1KMT2ANPC1
SCHEMBL792127 0.81 TYK2 (0.43) TYK2ALDH1A1HPGDHSD17B10JAK2
SCHEMBL792430 0.81 RAB9A (0.45) TYK2ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL793498 0.81 ALDH1A1 (0.45) TYK2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28564716 0.80 CLK1 (0.42) TYK2MAOBALDH1A1KDM4EHPGD
SCHEMBL793142 0.79 TYK2 (0.40) TYK2ALDH1A1HPGDJAK2MAPT

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 229/4885MAOB 17/4885ALDH1A1 1372/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885MAOB 17/4885ALDH1A1 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.