SCHEMBL2355004

SCHEMBL2355004

N#Cc1cccc(-n2[nH]c3c(c2=O)CCN(Cc2ccc(F)c(Cl)c2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 12/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
RCE1 Q9Y256 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
GAA P10253 1/20 0.38
MCHR1 Q99705 1/20 0.37
METAP2 P50579 1/20 0.36
GNRHR P30968 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
DRD4 P21917 1/20 0.35

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
SCHEMBL14152041 0.93 CLPP (0.50) CLPPGRIN1GRIN2BMCHR1METAP2
SCHEMBL2347778 0.89 CLPP (0.49) CLPPMEN1KMT2AATMGAA
SCHEMBL2347838 0.88 CLPP (0.48) CLPPNOX4DRD4
SCHEMBL2300743 0.84 CLPP (0.57) CLPPMEN1KMT2AATMGAA
SCHEMBL2346966 0.84 CLPP (0.47) CLPPMCHR1NOX4
SCHEMBL2345761 0.84 MEN1 (0.43) CLPPMEN1KMT2AATMRCE1
SCHEMBL2301395 0.83 CLPP (0.57) CLPPMCHR1NOX4DRD4
SCHEMBL2358828 0.83 CLPP (0.43) CLPPMEN1KMT2AMCHR1NOX4
SCHEMBL2356534 0.83 TACR1 (0.46) CLPPGRIN1GRIN2BGAADRD4
SCHEMBL2346946 0.81 CLPP (0.48) CLPPMEN1KMT2AATMGAA

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
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
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
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 CLPP 2482/4885MEN1 4805/4885KMT2A 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.