SCHEMBL4779637

SCHEMBL4779637

O=C(O)C(=Cc1cncc(Br)c1)C(=O)COCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PRNP P04156 1/20 0.32
PTGDR Q13258 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL4 Q8NA19 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
GAA P10253 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
SCHEMBL4779625 1.00 PTGIR (0.35) PTGIRLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4774647 0.86 PTGIR (0.46) PTGIRHCAR2PRNPPTGDR
SCHEMBL4774651 0.86 PTGIR (0.46) PTGIRHCAR2PRNPPTGDR
SCHEMBL27682177 0.85 SMN1; SMN2 (0.34) PTGIRLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4778677 0.81 PTGIR (0.42) PTGIRL3MBTL1HCAR2PRNPPTGDR
SCHEMBL4778680 0.81 PTGIR (0.42) PTGIRL3MBTL1HCAR2PRNPPTGDR
SCHEMBL4772738 0.80 POLB (0.37) L3MBTL1SMN1; SMN2ATMPOLBHCAR2
SCHEMBL4774000 0.80 POLB (0.37) L3MBTL1SMN1; SMN2ATMPOLBHCAR2
SCHEMBL4772731 0.80 POLB (0.37) L3MBTL1SMN1; SMN2ATMPOLBHCAR2
SCHEMBL27682174 0.78 PTGIR (0.34) PTGIRLMNAALDH1A1L3MBTL1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US 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-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A PTGIR 55/4885LMNA 3462/4885ALDH1A1 774/4885

“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.