SCHEMBL793219

SCHEMBL793219

O=C(O)Nc1cc(CO)ncn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 8/20 0.36
ERBB3 P21860 7/20 0.36
SORT1 Q99523 1/20 0.35
ABL1 P00519 2/20 0.34
LCK P06239 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMO O15229 1/20 0.33
MAP4K1 Q92918 1/20 0.32
RIPK1 Q13546 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
SCHEMBL5889118 0.80 L3MBTL1 (0.44) L3MBTL1EGFRERBB3SORT1LCK
SCHEMBL16840694 0.75 CYP1A2 (0.40) L3MBTL1EGFRLCK
SCHEMBL18185358 0.73 L3MBTL1 (0.48) L3MBTL1EGFRERBB3SORT1LCK
SCHEMBL374583 0.73 L3MBTL1 (0.59) L3MBTL1EGFRERBB3SORT1
SCHEMBL18787026 0.73 L3MBTL1 (0.84) L3MBTL1EGFRERBB3SORT1RIPK1
SCHEMBL11326441 0.72 CCR1 (0.36)
SCHEMBL19489281 0.72 EGFR (0.48) EGFR
SCHEMBL792949 0.70 L3MBTL1 (0.46) L3MBTL1EGFRERBB3SORT1SMN1; SMN2
SCHEMBL5913167 0.69 NR3C2 (0.53) LOXL2
SCHEMBL16513679 0.69 L3MBTL1 (0.48) L3MBTL1SORT1SMN1; SMN2

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 6 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
CN-103209695-A Azabenzothiazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2013-07-17 CN 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 L3MBTL1 3602/4885EGFR 2436/4885ERBB3 2318/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R L3MBTL1 3602/4885EGFR 2436/4885ERBB3 2318/4885

“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.