SCHEMBL2217280

SCHEMBL2217280

Cc1c2c(=O)n(C3CCN(C)CC3)[nH]c2cc(=O)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 18/20 0.55
CYBB P04839 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
NOX1 Q9Y5S8 1/20 0.41

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
SCHEMBL3614947 0.75 NOX4 (0.84) NOX4CYBBCYP3A4NOX1
SCHEMBL2212822 0.73 NOX4 (0.51) NOX4CYBBPARP1
SCHEMBL14950445 0.72 NOX4 (0.83) NOX4CYBBCYP3A4NOX1
SCHEMBL12107202 0.71 NOX4 (0.77) NOX4CYBBCYP3A4NOX1
SCHEMBL2208449 0.71 PARP1 (0.47) NOX4CYBBCYP3A4CYP1A2CYP2D6
SCHEMBL1303321 0.71 NOX4 (1.00) NOX4CYBBCYP3A4NOX1
SCHEMBL3602788 0.70 NOX4 (1.00) NOX4CYBBCYP3A4NOX1
SCHEMBL12107188 0.70 NOX4 (0.72) NOX4CYBBCYP3A4NOX1
SCHEMBL1303261 0.69 NOX4 (0.57) NOX4CYBB
SCHEMBL3618610 0.69 NOX4 (0.77) NOX4CYBBCYP3A4NOX1

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
EP-2342203-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-11-04 EP claimed
US-8455486-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US claimed
EP-2342203-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-11-04 EP disclosed
US-9006238-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-14 US disclosed
US-9006238-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-14 US disclosed
US-9006238-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-04-14 US disclosed
US-20130158027-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-06-20 US disclosed
US-20130158027-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-06-20 US disclosed
US-20130158027-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2013-06-20 US disclosed
US-8455486-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
US-8455486-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
US-8455486-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-06-04 US disclosed
US-20110178082-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed
US-20110178082-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed
US-20110178082-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 US disclosed
WO-2010035220-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-04-01 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 (2 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-20130158027-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB NOX4 2/4885CYBB 3/4885CYP3A4 157/4885
US-20110178082-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB NOX4 2/4885CYBB 3/4885CYP3A4 157/4885

“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.