SCHEMBL798047

SCHEMBL798047

Nc1cc(CN2C(=O)c3ccccc3C2=O)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 2/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.41
GLS O94925 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TYR P14679 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1B1 Q16678 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29411233 0.81 MEN1 (0.55) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL17979341 0.81 MEN1 (0.55) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL2036042 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL4882922 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL240611 0.74 MEN1 (0.68) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL18068145 0.74 MAPT (0.48) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL1834551 0.73 MEN1 (0.61) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL29774137 0.72 MEN1 (0.64) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL17293770 0.72 MEN1 (0.64) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL15211966 0.72 MEN1 (0.64) ALDH1A1MEN1KMT2APKMMAPT

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 ALDH1A1 1372/4885MEN1 1285/4885KMT2A 2299/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R ALDH1A1 1372/4885MEN1 1285/4885KMT2A 2299/4885

“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.