SCHEMBL4774651

SCHEMBL4774651

Cc1cncc(C=C(C(=O)O)C(=O)COCC2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.46
PTGDR Q13258 1/20 0.35
PRNP P04156 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL4774647 1.00 PTGIR (0.46) PTGIRPTGDRPRNPHCAR2
SCHEMBL4778677 0.94 PTGIR (0.42) PTGIRPTGDRPRNPHCAR2
SCHEMBL4778680 0.94 PTGIR (0.42) PTGIRPTGDRPRNPHCAR2
SCHEMBL4779637 0.86 PTGIR (0.35) PTGIRPTGDRPRNPHCAR2
SCHEMBL4779625 0.86 PTGIR (0.35) PTGIRPTGDRPRNPHCAR2
SCHEMBL28764860 0.86 PTGIR (0.41) PTGIRPTGDR
SCHEMBL4775068 0.81 ATM (0.39) HCAR2
SCHEMBL4775073 0.81 ATM (0.39) HCAR2
SCHEMBL4776241 0.78 HCAR2 (0.36) HCAR2
SCHEMBL4776239 0.78 HCAR2 (0.36) HCAR2

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 55/4885PTGDR 176/4885PRNP 957/4885

“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.