SCHEMBL2356115

SCHEMBL2356115

O=c1c2c([nH]n1Cc1ccccc1)CN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 2/20 0.43
CYP2D6 P10635 2/20 0.43
USP2 O75604 1/20 0.43
NR3C1 P04150 1/20 0.42
TSHR P16473 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CD4 P01730 2/20 0.40
SORT1 Q99523 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP3A4 P08684 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
SCHEMBL14150535 0.93 NR3C1 (0.47) MEN1KMT2APKMNR3C1KDM4E
SCHEMBL2346588 0.92 CD4 (0.51) PKMNR3C1TSHRALDH1A1CD4
SCHEMBL2355541 0.92 MEN1 (0.49) MEN1KMT2APKMNR3C1TSHR
SCHEMBL14150516 0.90 NR3C1 (0.49) MEN1KMT2ANR3C1KDM4EALDH1A1
SCHEMBL2348930 0.90 ALDH1A1 (0.42) KMT2ATSHRKDM4EALDH1A1
SCHEMBL6909830 0.90 AKR1C3 (0.41) MEN1KMT2APKMNR3C1TSHR
SCHEMBL2355058 0.90 NR3C1 (0.48) MEN1KMT2ANR3C1ALDH1A1CD4
SCHEMBL2357824 0.90 PKM (0.44) MEN1KMT2APKMNR3C1TSHR
SCHEMBL2356653 0.90 LMNA (0.55) MEN1KMT2APKMNR3C1TSHR
SCHEMBL2354783 0.87 NR3C1 (0.51) PKMNR3C1TSHRALDH1A1

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 10 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
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
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 3349/4885PKM 984/4885

“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.