SCHEMBL2340797

SCHEMBL2340797

O=c1c2c([nH]n1-c1ccccc1F)CCN(Cc1cccnc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.54
GABRA3 P34903 3/20 0.54
GABRA2 P47869 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYBB P04839 2/20 0.47
NOX5 Q96PH1 2/20 0.47
NOX4 Q9NPH5 2/20 0.47
NOX1 Q9Y5S8 2/20 0.47
CLPP Q16740 2/20 0.45
SCN9A Q15858 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
GABRA5 P31644 1/20 0.42
COMT P21964 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 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
SCHEMBL2301876 0.85 CLPP (0.50) GABRA1GABRA3GABRA2CYBBNOX5
SCHEMBL2306533 0.84 PRMT5 (0.41) GABRA1GABRA3GABRA2CLPPPRMT5
SCHEMBL6908786 0.82 GABRA1 (0.41) GABRA1GABRA3GABRA2KDM4EALDH1A1
SCHEMBL2302142 0.81 CLPP (0.48) GABRA1GABRA3GABRA2CYBBNOX5
SCHEMBL2303175 0.80 CLPP (0.53) GABRA1GABRA3GABRA2CYBBNOX5
SCHEMBL2302876 0.80 CLPP (0.41) GABRA1GABRA3GABRA2KDM4EALDH1A1
SCHEMBL6907289 0.78 GABRA1 (0.43) GABRA1GABRA3GABRA2KDM4ECYBB
SCHEMBL2357883 0.77 PRMT5 (0.41) GABRA1GABRA3GABRA2CYBBNOX5
SCHEMBL2305199 0.76 CLPP (0.44) GABRA1GABRA3GABRA2CYBBNOX5
SCHEMBL12451448 0.74 GABRA1 (0.44) GABRA1GABRA3GABRA2CYBBNOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US claimed
EP-2536723-B1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-12-11 EP claimed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
EP-2361911-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP claimed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
EP-2536723-B1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-12-11 EP disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
EP-2361911-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP disclosed
WO-2011101804-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 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-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 GABRA1 1837/4885GABRA3 1955/4885GABRA2 1979/4885

“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.