SCHEMBL2347296

SCHEMBL2347296

O=c1c2c([nH]n1Cc1cccnc1)CN(Cc1cccc(Cl)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CLPP Q16740 6/20 0.45
GRM2 Q14416 1/20 0.45
ALOX5 P09917 1/20 0.43
COMT P21964 1/20 0.42
CYBB P04839 2/20 0.42
NOX5 Q96PH1 2/20 0.42
NOX4 Q9NPH5 2/20 0.42
NOX1 Q9Y5S8 2/20 0.42
CYP17A1 P05093 2/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL2354986 0.91 MEN1 (0.53) MEN1GAAKMT2AATMCLPP
SCHEMBL2352442 0.90 ALOX5 (0.51) CLPPALOX5COMTCYBBNOX5
SCHEMBL2347997 0.89 ATM (0.59) MEN1GAAKMT2AATMCLPP
SCHEMBL2348139 0.85 MEN1 (0.53) MEN1GAAKMT2AATMCLPP
SCHEMBL2356234 0.85 MEN1 (0.53) MEN1GAAKMT2AATMCLPP
SCHEMBL2358237 0.85 CLPP (0.53) MEN1GAAKMT2AATMCLPP
SCHEMBL2344024 0.83 CYP17A1 (0.50) CLPPGRM2COMTCYBBNOX5
SCHEMBL2346453 0.82 DRD2 (0.56) MEN1GAAKMT2AATMCLPP
SCHEMBL2346852 0.82 DRD2 (0.56) MEN1GAAKMT2AATMCLPP
SCHEMBL2349473 0.82 MEN1 (0.53) MEN1GAAKMT2AATMCLPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US claimed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
EP-2361912-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP claimed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
US-8748456-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-06-10 US disclosed
EP-2536721-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
EP-2361912-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP disclosed
WO-2011101805-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-20120316380-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 MEN1 4805/4885GAA 506/4885KMT2A 3349/4885

“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.