SCHEMBL2845682

SCHEMBL2845682

COCC(=O)c1c(OC(C)=O)nn(-c2ccc(F)cc2Cl)c1O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
CNR1 P21554 1/20 0.33
MARS1 P56192 1/20 0.33
P2RX7 Q99572 7/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK14 Q16539 1/20 0.32
RIPK1 Q13546 1/20 0.32
NR3C2 P08235 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2849167 0.81 GRM5 (0.35) GRM5CNR1MARS1P2RX7LMNA
SCHEMBL1722408 0.81 MARS1 (0.37) CNR1MARS1P2RX7LMNARIPK1
SCHEMBL1723074 0.80 P2RX7 (0.36) GRM5CNR1P2RX7LMNAALDH1A1
SCHEMBL1303913 0.80 CHRM1 (0.35) GRM5CNR1MARS1P2RX7LMNA
SCHEMBL3250915 0.73 MARS1 (0.39) GRM5CNR1MARS1P2RX7LMNA
SCHEMBL1723018 0.69 NPSR1 (0.35) GRM5P2RX7NPSR1
SCHEMBL1723076 0.67 GRM5 (0.37) GRM5P2RX7LMNAALDH1A1SMN1; SMN2
SCHEMBL20551758 0.66 SLC34A1 (0.42) LMNAALDH1A1
SCHEMBL1722410 0.65 P2RX7 (0.39) CNR1MARS1P2RX7NR3C2MEN1
SCHEMBL1460410 0.64 PDE4B (0.44) ALDH1A1SMN1; SMN2MAPK14RIPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772891-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2020-09-15 US disclosed
US-20180235976-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2018-08-23 US disclosed
EP-2860179-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-03-14 EP disclosed
EP-2860179-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GenKyoTex SA (CH) 2015-04-15 EP disclosed
EP-2344492-B1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2014-10-29 EP disclosed
WO-2010035221-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-04-01 WO disclosed
EP-2166010-A1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYO TEX SA (CH) 2010-03-24 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 (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-20180235976-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB GRM5 1468/4885CNR1 2194/4885MARS1 3708/4885
US-10772891-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors NOX1, NOX4, CYBB GRM5 1468/4885CNR1 2194/4885MARS1 3708/4885

“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.