SCHEMBL6909746

SCHEMBL6909746

CC(=O)Nc1cccc(-n2[nH]c3c(c2=O)CCN(Cc2ccc(Cl)nc2)C3)c1

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 1/20 0.41
TNIK Q9UKE5 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
BTK Q06187 1/20 0.39
GAA P10253 1/20 0.39
ACACB O00763 4/20 0.39
ABCB1 P08183 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
METAP2 P50579 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 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
SCHEMBL2344747 0.87 KDM4E (0.43) NOX4GAAKDM4EALDH1A1
SCHEMBL2348748 0.86 GAA (0.46) MEN1KMT2AATMNOX4BTK
SCHEMBL6910461 0.84 MEN1 (0.37) MEN1KMT2AATMGAA
SCHEMBL6911549 0.83 GAA (0.43) MEN1KMT2ANOX4BTKGAA
SCHEMBL2346966 0.81 CLPP (0.47) NOX4
SCHEMBL2347967 0.81 FAAH (0.45) NOX4GAAKDM4E
SCHEMBL2302100 0.80 KDM4E (0.43) NOX4GAAKDM4EALDH1A1
SCHEMBL2345765 0.80 GABRA1 (0.43) MEN1KMT2AATMALDH1A1TDP1
SCHEMBL2301441 0.79 MAPT (0.42) MEN1KMT2ANOX4BTKGAA
SCHEMBL2348266 0.77 ALDH1A1 (0.45) MEN1KMT2AATMALDH1A1

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 9 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
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 3349/4885ATM 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.