SCHEMBL2348282

SCHEMBL2348282

O=c1c2c([nH]n1CCN1CCOCC1)CN(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
RCE1 Q9Y256 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
DAO P14920 1/20 0.38
CLPP Q16740 2/20 0.38
GAA P10253 1/20 0.37
DRD4 P21917 2/20 0.37
PARP1 P09874 3/20 0.37
SLC6A5 Q9Y345 1/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 2/20 0.36
MCHR1 Q99705 1/20 0.36
EGFR P00533 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL2344980 0.90 AKR1C3 (0.43) MEN1KMT2AATMRCE1CLPP
SCHEMBL2348972 0.87 MEN1 (0.52) MEN1KMT2AATMSIGMAR1CLPP
SCHEMBL2351975 0.86 SIGMAR1 (0.46) MEN1KMT2AATMRCE1SIGMAR1
SCHEMBL2345757 0.86 KMT2A (0.40) MEN1KMT2AATMRCE1DAO
SCHEMBL2345802 0.86 MEN1 (0.47) MEN1KMT2AATMRCE1SIGMAR1
SCHEMBL2302234 0.81 AKR1C3 (0.43) MEN1KMT2ACLPPDRD4PARP1
SCHEMBL2349570 0.80 CNR2 (0.44) KMT2APIK3CDPIK3CAPIK3CBGAA
SCHEMBL2347851 0.80 KDM4E (0.48) CLPPDRD4SLC6A5DRD2KCNH2
SCHEMBL2345761 0.80 MEN1 (0.43) MEN1KMT2AATMRCE1CLPP
SCHEMBL2343263 0.78 CLPP (0.47) CLPPPARP1SLC6A5

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
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
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
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.