SCHEMBL2216533

SCHEMBL2216533

COc1cccc(Cn2c(CCCOc3ccccc3)c3c(=O)n(C)[nH]c3cc2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NOX4 Q9NPH5 4/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TSHR P16473 2/20 0.41
CYBB P04839 2/20 0.41
NOX5 Q96PH1 2/20 0.41

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
SCHEMBL2218087 0.85 NOX4 (0.42) KMT2ANOX4ALDH1A1MEN1CYBB
SCHEMBL2219146 0.85 NOX4 (0.46) KMT2AMAPTHSD17B10NOX4ALDH1A1
SCHEMBL2216326 0.82 NOX4 (0.43) KMT2AMAPTHSD17B10NOX4ALDH1A1
SCHEMBL2216089 0.82 NOX4 (0.65) NOX4CYP3A4CYBBNOX5NOX1
SCHEMBL2216692 0.78 NOX4 (0.57) NOX4CYP3A4CYP2C9CYBBNOX1
SCHEMBL2218128 0.78 NOX4 (0.62) KMT2AMAPTNOX4ALDH1A1CYP3A4
SCHEMBL2217140 0.77 NOX4 (0.54) HSD17B10NOX4ALDH1A1L3MBTL1CYP1A2
SCHEMBL2214161 0.76 NOX4 (0.46) KMT2AMAPTNOX4CYP3A4CYP2C19
SCHEMBL2211894 0.75 NOX4 (0.62) MAPTHSD17B10NOX4ALDH1A1CYP1A2
SCHEMBL2216760 0.75 NOX4 (0.47) KMT2AMAPTHSD17B10NOX4ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012449-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-21 US claimed
EP-2349261-B1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-08-14 EP claimed
US-20130143879-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-06-06 US claimed
US-8455485-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US claimed
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US claimed
EP-2674160-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-10-28 EP disclosed
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
US-9012449-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-21 US disclosed
US-9012449-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-21 US disclosed
EP-2674160-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2013-12-18 EP 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-8455485-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 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
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed
WO-2010035219-A2 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-04-01 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-20130143879-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB KMT2A 3540/4885MAPT 1500/4885HSD17B10 570/4885
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB KMT2A 3540/4885MAPT 1500/4885HSD17B10 570/4885

“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.