SCHEMBL4772433

SCHEMBL4772433

CCn1ncc2c(-c3ccnc(C)c3)c(CCC(=O)O)c(C(C)C)nc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
PDE4B Q07343 2/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
ADORA2A P29274 1/20 0.34
DPP4 P27487 2/20 0.33
TLR9 Q9NR96 4/20 0.33
TLR8 Q9NR97 4/20 0.33
TLR7 Q9NYK1 4/20 0.33
GCGR P47871 2/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL4778959 0.83 DPP4 (0.34) PDE4BDPP4GCGRPDE4DMAPT
SCHEMBL4776274 0.81 PDE4B (0.45) PDE4BADORA2AMAPTTSHRNPSR1
SCHEMBL4771737 0.81 PDE4B (0.33) PDE4BCLK1DYRK1AADORA2ADPP4
SCHEMBL4771752 0.81 PDE4B (0.33) PDE4BCLK1DYRK1AADORA2ADPP4
SCHEMBL4769868 0.80 CLK1 (0.36) PDE4BCLK1DYRK1AADORA2ATLR9
SCHEMBL4792315 0.75 PTGS2 (0.32) PDE4BDPP4PDE4DMAPTTSHR
SCHEMBL4769811 0.73 PDE4B (0.33) PDE4BMAPTTSHRNPSR1
SCHEMBL4774667 0.73 PDE4B (0.35) PDE4BMAPTTSHRNPSR1
SCHEMBL4772785 0.73 GLA (0.46) PDE4BMAPTTSHRNPSR1GLA
SCHEMBL4770189 0.72 PDE4B (0.43) PDE4BMAPTTSHRNPSR1

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 10 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 claimed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP claimed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP claimed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO claimed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US claimed
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 FFAR1 2288/4885PDE4B 4/4885CLK1 3640/4885

“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.