SCHEMBL2217872

SCHEMBL2217872

O=c1c2c(CNCCc3cccc(F)c3)n(Cc3ccc(Cl)cc3)c(=O)cc2[nH]n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 8/20 0.48
BCHE P06276 8/20 0.45
CYBB P04839 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCB1 P08183 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14992015 0.89 NOX4 (0.51) NOX4BCHECYBBKDM4E
SCHEMBL2216058 0.87 NOX4 (0.45) NOX4CYBBCYP2C9CYP2C19ABCB1
SCHEMBL2219796 0.87 NOX4 (0.46) NOX4BCHECYBBLMNAMEN1
SCHEMBL2217875 0.84 NOX4 (0.51) NOX4CYBBCYP2C9CYP2C19
SCHEMBL2216504 0.81 NOX4 (0.57) NOX4CYBBCYP2C9CYP2C19
SCHEMBL2219755 0.79 NOX4 (0.54) NOX4CYBB
SCHEMBL2216036 0.76 NOX4 (0.53) NOX4CYBBCYP2C9CYP2C19KDM4E
SCHEMBL2216293 0.74 NOX4 (0.54) NOX4BCHECYBBCYP2C9CYP2C19
SCHEMBL2219120 0.73 NOX4 (0.46) NOX4CYBBCYP2C9CYP2C19MEN1
SCHEMBL15163464 0.72 NOX4 (0.45) NOX4CYP2C9CYP2C19KDM4EALDH1A1

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
EP-2674160-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-10-28 EP disclosed
US-9012449-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-21 US disclosed
EP-2349261-B1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-08-14 EP disclosed
US-20130143879-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-06-06 US disclosed
US-8455485-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US 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-20130143879-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB NOX4 2/4885BCHE 1658/4885CYBB 3/4885
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB NOX4 2/4885BCHE 1658/4885CYBB 3/4885

“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.