SCHEMBL793221

SCHEMBL793221

CC(C)(C)OC(=O)N1CC(c2cc(Cl)c(-c3nc4ccnc(Cl)c4s3)c(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.44
JAK2 O60674 1/20 0.43
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 3/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
USP30 Q70CQ3 1/20 0.34
DYRK1A Q13627 1/20 0.34
ANO1 Q5XXA6 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
SCHEMBL793084 0.84 TYK2 (0.70) TYK2JAK2
SCHEMBL797621 0.76 TYK2 (0.53) TYK2JAK2
SCHEMBL20295597 0.73 POLB (0.44) POLBKDM4EMEN1KMT2AUSP30
SCHEMBL30740263 0.73 POLB (0.44) POLBKDM4EMEN1KMT2AUSP30
SCHEMBL20757641 0.73 PDE4B (0.46) POLBKDM4EMEN1KMT2AUSP30
SCHEMBL30094557 0.73 PDE4B (0.46) POLBKDM4EMEN1KMT2AUSP30
SCHEMBL15535023 0.72 MEN1 (0.42) POLBKDM4EMEN1KMT2AUSP30
SCHEMBL25222714 0.71 PDE4B (0.48) KDM4EMEN1KMT2AUSP30
SCHEMBL31655309 0.69 PDE4B (0.47) POLBKDM4EUSP30
SCHEMBL20031174 0.69 USP30 (0.48) KDM4EUSP30

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 544/4885POLB 955/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TYK2 229/4885JAK2 544/4885POLB 955/4885

“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.