SCHEMBL4778995

SCHEMBL4778995

CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(COCC3CC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
PTGIR P43119 2/20 0.34
PRNP P04156 1/20 0.33
PTGS2 P35354 2/20 0.32
PTGES O14684 1/20 0.32
FFAR1 O14842 1/20 0.32
MAT2A P31153 1/20 0.31
PDE4B Q07343 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL4774515 0.96 FFAR4 (0.35) FFAR4PTGIRPRNPPTGS2PTGES
SCHEMBL4774910 0.92 PDE4B (0.33) FFAR4PTGIRMAT2APDE4B
SCHEMBL4772575 0.89 PTGS2 (0.37) PTGS2PTGESMAT2APSEN1PSEN2
SCHEMBL4778657 0.88 PDE4B (0.36) PDE4B
SCHEMBL4779750 0.87 ALDH1A1 (0.32) PTGS2PTGESMAT2APDE4B
SCHEMBL4770027 0.86 PTGIR (0.34) FFAR4PTGIRPRNPMAT2APDE4B
SCHEMBL4776470 0.83 ALDH1A1 (0.37) PDE4B
SCHEMBL4772686 0.83 PTGIR (0.32) FFAR4PTGIRPRNPMAT2A
SCHEMBL4772699 0.83 PTGIR (0.32) FFAR4PTGIRPRNPMAT2A
SCHEMBL4779562 0.83 MAT2A (0.36) PTGS2PTGESMAT2APDE4BPSEN1

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 FFAR4 1564/4885PTGIR 55/4885PRNP 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.