SCHEMBL4776296

SCHEMBL4776296

CCn1ncc2c(-c3cc(Cl)c(N)c(Cl)c3)c(/C=C/C(=O)O)c(C3CC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
MAT2A P31153 9/20 0.35
PTGER3 P43115 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL4776302 1.00 RXRA (0.35) RXRAMAT2APTGER3ADORA3ADORA2A
SCHEMBL4778910 0.87 ADORA3 (0.35) MAT2APTGER3ADORA3ADORA2AADORA1
SCHEMBL4770120 0.86 RXRA (0.35) RXRAMAT2APTGER3ADORA3ADORA2A
SCHEMBL4770128 0.86 RXRA (0.35) RXRAMAT2APTGER3ADORA3ADORA2A
SCHEMBL4770164 0.84 MAT2A (0.37) RXRAMAT2APTGER3PIK3CAMTOR
SCHEMBL4770172 0.84 MAT2A (0.37) RXRAMAT2APTGER3PIK3CAMTOR
SCHEMBL4770166 0.83 RXRA (0.35) RXRAMAT2APIK3CAMTOR
SCHEMBL4770155 0.83 RXRA (0.35) RXRAMAT2APIK3CAMTOR
SCHEMBL4776277 0.82 RXRA (0.35) RXRAMAT2APIK3CAMTOR
SCHEMBL4776285 0.82 RXRA (0.35) RXRAMAT2APIK3CAMTOR

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 RXRA 2913/4885MAT2A 3361/4885PTGER3 210/4885

“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.