SCHEMBL792917

SCHEMBL792917

O=[N+]([O-])c1cccc(Cl)c1-c1nc2ccnc(Cl)c2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.48
JAK2 O60674 1/20 0.47
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 3/20 0.39
PDE10A Q9Y233 1/20 0.38
ACP1 P24666 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL792261 0.84 TYK2 (0.59) TYK2JAK2MEN1KMT2A
SCHEMBL791925 0.78 TYK2 (0.52) TYK2JAK2
SCHEMBL792969 0.78 TYK2 (0.58) TYK2JAK2ALDH1A1KDM4EPDE10A
SCHEMBL793886 0.78 TYK2 (0.50) TYK2JAK2ALDH1A1MEN1KMT2A
SCHEMBL792395 0.74 TYK2 (0.47) TYK2JAK2
SCHEMBL27382644 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ETDP1
SCHEMBL793073 0.73 TYK2 (0.50) TYK2JAK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL793759 0.73 TYK2 (0.47) TYK2JAK2ALDH1A1TDP1SMN1; SMN2
SCHEMBL791570 0.72 TYK2 (0.46) TYK2JAK2ALDH1A1MAPK1
SCHEMBL792647 0.72 TYK2 (0.55) TYK2JAK2

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 544/4885ALDH1A1 1372/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885ALDH1A1 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.