SCHEMBL2344747

SCHEMBL2344747

CC(=O)Nc1cccc(-n2[nH]c3c(c2=O)CCN(Cc2cccnc2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PTPN1 P18031 1/20 0.42
BRD4 O60885 1/20 0.41
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
COMT P21964 1/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
POLB P06746 1/20 0.39
P2RY1 P47900 1/20 0.39
UBE2M P61081 1/20 0.39

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
SCHEMBL2302100 0.93 KDM4E (0.43) KDM4EALDH1A1PTPN1BRD4EP300
SCHEMBL6909746 0.87 MEN1 (0.41) KDM4EALDH1A1NOX4GAA
SCHEMBL2348748 0.86 GAA (0.46) KDM4EALDH1A1NOX4GAALMNA
SCHEMBL6911549 0.86 GAA (0.43) KDM4EALDH1A1NOX4GAATSHR
SCHEMBL2347967 0.84 FAAH (0.45) KDM4ENOX4GAA
SCHEMBL6910467 0.83 COMT (0.42) KDM4ENOX4COMTCYP17A1CYP3A4
SCHEMBL2347259 0.81 CLPP (0.42) NOX4COMTCYP17A1CYP3A4
SCHEMBL2344085 0.78 CLPP (0.46) PTPN1NOX4COMTCYP17A1CYP3A4
SCHEMBL2354947 0.78 KDM4E (0.46) KDM4EALDH1A1LMNADRD2POLB
SCHEMBL2350087 0.77 KDM4E (0.42) KDM4EALDH1A1NOX4COMTGAA

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-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
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 KDM4E 3277/4885ALDH1A1 109/4885PTPN1 645/4885

“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.