SCHEMBL2301441

SCHEMBL2301441

CC(=O)Nc1cccc(-n2[nH]c3c(c2=O)CN(Cc2ccc(F)c(Cl)c2)CC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
METAP2 P50579 1/20 0.41
POLB P06746 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
BTK Q06187 1/20 0.39
BRAF P15056 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.39
PARP1 P09874 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL6909385 0.84 CLPP (0.40) MEN1KMT2AKCNH2GNRHR
SCHEMBL2348748 0.83 GAA (0.46) MAPTALDH1A1MEN1KMT2AMETAP2
SCHEMBL2302100 0.82 KDM4E (0.43) ALDH1A1POLBNOX4KDM4EGAA
SCHEMBL2304145 0.81 MEN1 (0.52) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL14152041 0.81 CLPP (0.50) METAP2KCNH2
SCHEMBL2303716 0.81 CLPP (0.42) ALDH1A1MEN1KMT2AKDM4EKCNH2
SCHEMBL6909746 0.79 MEN1 (0.41) ALDH1A1MEN1KMT2AMETAP2NOX4
SCHEMBL6911549 0.78 GAA (0.43) ALDH1A1MEN1KMT2ANOX4BTK
SCHEMBL2302430 0.77 MAPT (0.41) MAPTTP53ALDH1A1KMT2AKDM4E
SCHEMBL2347967 0.76 FAAH (0.45) MAPTNOX4KDM4EGAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US claimed
EP-2536723-B1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-12-11 EP claimed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US claimed
EP-2361911-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP claimed
WO-2011101804-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO claimed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
US-8865758-B2 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-10-21 US disclosed
EP-2536723-B1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-12-11 EP disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
US-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2012-12-13 US disclosed
EP-2361911-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP disclosed
EP-2361911-A1 Pyrazolo piperidine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2011-08-31 EP disclosed
WO-2011101804-A1 PYRAZOLO PIPERIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-08-25 WO disclosed
WO-2011101804-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-20120316163-A1 Pyrazolo Piperidine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, NOX5 MAPT 1706/4885TP53 3566/4885ALDH1A1 109/4885

“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.