SCHEMBL2277196

SCHEMBL2277196

O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCCC(O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
HTR6 P50406 4/20 0.34
BCHE P06276 2/20 0.34
PDE4B Q07343 1/20 0.34
CYP2C19 P33261 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MET P08581 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NAMPT P43490 1/20 0.32
MMP1 P03956 1/20 0.32
ADAM17 P78536 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL2295115 1.00 GSK3A (0.36) GSK3AGSK3BHTR6BCHEPDE4B
SCHEMBL2276201 0.95 GSK3A (0.41) GSK3AGSK3BHTR6BCHECYP2C19
SCHEMBL28952107 0.95 GSK3A (0.41) GSK3AGSK3BHTR6BCHECYP2C19
SCHEMBL31601186 0.92 GSK3A (0.37) GSK3AGSK3BHTR6BCHECYP2C19
SCHEMBL2275894 0.89 GSK3A (0.46) GSK3AGSK3BHTR6BCHEPDE4B
SCHEMBL2273831 0.89 PDE4B (0.40) GSK3AGSK3BHTR6BCHEPDE4B
SCHEMBL30368521 0.89 PDE4B (0.40) GSK3AGSK3BHTR6BCHEPDE4B
SCHEMBL2273916 0.88 ALDH1A1 (0.33) HTR6BCHEPDE4BCYP2C19MET
SCHEMBL14643453 0.87 MAPT (0.38) GSK3AGSK3BHTR6BCHEPDE4B
SCHEMBL14644191 0.87 MAPT (0.38) GSK3AGSK3BHTR6BCHEPDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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 (1 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 GSK3A 2058/4885GSK3B 1745/4885HTR6 3644/4885

“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.