SCHEMBL3604643

SCHEMBL3604643

Cc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(F)cc3)c2cc(=O)n1CCc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 3/20 0.45
GPR18 Q14330 3/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
HTR6 P50406 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3598809 0.88 NOX4 (0.45) NOX4GPR18CDK4CCND1ALDH1A1
SCHEMBL13980201 0.85 NOX4 (0.42) NOX4CDK4CCND1ALDH1A1L3MBTL1
SCHEMBL3612980 0.74 NOX4 (0.42) NOX4ALDH1A1L3MBTL1
SCHEMBL3612480 0.74 NOX4 (0.70) NOX4L3MBTL1RAB9A
SCHEMBL9976093 0.70 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL19608027 0.69 NOX4 (0.48) NOX4
SCHEMBL13503058 0.68 NOX4 (0.40) NOX4GPR18CDK4CCND1ALDH1A1
SCHEMBL19607842 0.67 NOX4 (0.59) NOX4ALDH1A1
SCHEMBL19607961 0.67 NOX4 (0.58) NOX4ALDH1A1L3MBTL1
SCHEMBL9975961 0.63 P2RX4 (0.52) ALDH1A1L3MBTL1SMN1; SMN2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073919-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-07-07 US claimed
EP-2545918-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-08-06 EP claimed
US-20130123256-A1 Pyrazolo Pyridine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX SA (CH) 2013-05-16 US claimed
US-8389518-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-03-05 US claimed
EP-2545918-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2013-01-16 EP claimed
EP-2139477-B1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2012-12-12 EP claimed
US-20100048560-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-02-25 US claimed
US-9073919-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-07-07 US disclosed
US-9073919-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-07-07 US disclosed
US-9073919-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2015-07-07 US disclosed
EP-2545918-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-08-06 EP disclosed
EP-2545918-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2014-08-06 EP disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
EP-2139477-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-01-06 EP disclosed
EP-2002835-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GenKyo Tex (CH) 2008-12-17 EP disclosed
WO-2008113856-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-09-25 WO disclosed
WO-2008113856-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-09-25 WO disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (3 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-20100048560-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB NOX4 2/4885GPR18 2106/4885PTGS1 251/4885
US-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 NOX4 75/4885GPR18 378/4885PTGS1 2251/4885
US-20130123256-A1 Pyrazolo Pyridine Derivatives as NADPH Oxidase Inhibitors NOX1, NOX4, CYBB NOX4 2/4885GPR18 2106/4885PTGS1 251/4885

“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.