SCHEMBL2345802

SCHEMBL2345802

O=c1c2c([nH]n1Cc1ccccc1)CN(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 2/20 0.47
RCE1 Q9Y256 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
CLPP Q16740 12/20 0.47
GAA P10253 1/20 0.45
KCNH2 Q12809 1/20 0.45
GNRHR P30968 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRA2 P47869 1/20 0.41
DRD4 P21917 1/20 0.40

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
SCHEMBL2303506 0.92 CLPP (0.49) MEN1KMT2AATMRCE1CLPP
SCHEMBL2352968 0.88 SLC6A5 (0.54) MEN1KMT2AATMRCE1SLC6A5
SCHEMBL2354358 0.88 SLC6A5 (0.54) MEN1KMT2AATMRCE1SLC6A5
SCHEMBL2347997 0.87 ATM (0.59) MEN1KMT2AATMRCE1SLC6A5
SCHEMBL14150722 0.87 SLC6A5 (0.45) MEN1KMT2AATMRCE1SLC6A5
SCHEMBL2348073 0.87 SLC6A5 (0.60) MEN1KMT2AATMSLC6A5CLPP
SCHEMBL2348282 0.86 MEN1 (0.41) MEN1KMT2AATMRCE1SLC6A5
SCHEMBL2358237 0.85 CLPP (0.53) MEN1KMT2AATMSLC6A5CLPP
SCHEMBL2345757 0.84 KMT2A (0.40) MEN1KMT2AATMRCE1SLC6A5
SCHEMBL2356234 0.83 MEN1 (0.53) MEN1KMT2AATMSLC6A5CLPP

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 14 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
EP-2536721-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2012-12-26 EP 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
WO-2011101805-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO 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
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
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 4805/4885KMT2A 3349/4885ATM 3213/4885

“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.