SCHEMBL2345757

SCHEMBL2345757

COCCn1[nH]c2c(c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 2/20 0.40
RCE1 Q9Y256 1/20 0.40
DRD4 P21917 4/20 0.39
DRD2 P14416 3/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
DRD3 P35462 2/20 0.37
DAO P14920 1/20 0.37
CLPP Q16740 3/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GNRHR P30968 1/20 0.36
GAA P10253 1/20 0.36
SOS1 Q07889 1/20 0.36
MERTK Q12866 1/20 0.36
KCNH2 Q12809 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
P2RX7 Q99572 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
SCHEMBL2349760 0.89 DRD4 (0.44) KMT2AMEN1ATMRCE1DRD4
SCHEMBL2347548 0.86 KMT2A (0.51) KMT2AMEN1ATMDRD4DRD2
SCHEMBL2348282 0.86 MEN1 (0.41) KMT2AMEN1ATMRCE1DRD4
SCHEMBL2345802 0.84 MEN1 (0.47) KMT2AMEN1ATMRCE1DRD4
SCHEMBL2304453 0.81 DRD4 (0.44) KMT2ADRD4DRD2DRD3CLPP
SCHEMBL6910475 0.80 KMT2A (0.41) KMT2AMEN1ATMDRD4DRD2
SCHEMBL2349727 0.78 MEN1 (0.40) KMT2AMEN1ATMRCE1DRD4
SCHEMBL2344993 0.78 CLPP (0.49) KMT2ADRD4DRD2DRD3CLPP
SCHEMBL2345761 0.78 MEN1 (0.43) KMT2AMEN1ATMRCE1DRD4
SCHEMBL2347846 0.77 COMT (0.41) CLPP

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
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
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 KMT2A 3349/4885MEN1 4805/4885ATM 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.