SCHEMBL4769955

SCHEMBL4769955

CCn1ncc2c(C3CCCCC3)c(C=CC(=O)O)c(C3CC3)nc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.37
MAT2A P31153 9/20 0.36
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE5A O76074 1/20 0.34
PIK3CA P42336 1/20 0.32
MTOR P42345 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
SCHEMBL4769942 1.00 PDE4B (0.37) PDE4BMAT2APDE1APDE1BPDE1C
SCHEMBL4777999 0.85 PDE1A (0.37) PDE4BMAT2APDE1APDE1BPDE1C
SCHEMBL4776520 0.84 PIK3CA (0.37) PDE4BMAT2APDE5APIK3CAMTOR
SCHEMBL4776513 0.84 PIK3CA (0.37) PDE4BMAT2APDE5APIK3CAMTOR
SCHEMBL4779743 0.81 PDE4B (0.34) PDE4BMAT2APDE1APDE1BPDE1C
SCHEMBL4779734 0.81 PDE4B (0.34) PDE4BMAT2APDE1APDE1BPDE1C
SCHEMBL4774966 0.80 APLNR (0.34) PDE4BMAT2APDE5APIK3CAMTOR
SCHEMBL4774960 0.80 APLNR (0.34) PDE4BMAT2APDE5APIK3CAMTOR
SCHEMBL5117171 0.79 PDE5A (0.37) PDE4BMAT2APDE1APDE1BPDE1C
SCHEMBL4770157 0.79 MAT2A (0.33) PDE4BMAT2APDE5APIK3CAMTOR

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 PDE4B 4/4885MAT2A 3361/4885PDE1A 21/4885

“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.