SCHEMBL4772540

SCHEMBL4772540

CCn1ncc2c(-c3cncc(C)c3)c(/C=C/C(=O)O)c(C3CCC3)nc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
MAT2A P31153 9/20 0.33
RXRA P19793 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDE10A Q9Y233 1/20 0.32
PDE4B Q07343 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
NR3C1 P04150 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
SCHEMBL4772561 1.00 APLNR (0.33) APLNRMAT2ARXRASIGMAR1PDE10A
SCHEMBL4774966 0.98 APLNR (0.34) APLNRMAT2ARXRASIGMAR1PDE10A
SCHEMBL4774960 0.98 APLNR (0.34) APLNRMAT2ARXRASIGMAR1PDE10A
SCHEMBL4779734 0.97 PDE4B (0.34) APLNRMAT2ARXRASIGMAR1PDE10A
SCHEMBL4779743 0.97 PDE4B (0.34) APLNRMAT2ARXRASIGMAR1PDE10A
SCHEMBL4770166 0.96 RXRA (0.35) APLNRMAT2ARXRASIGMAR1PDE10A
SCHEMBL4770155 0.96 RXRA (0.35) APLNRMAT2ARXRASIGMAR1PDE10A
SCHEMBL4770157 0.89 MAT2A (0.33) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4770168 0.89 MAT2A (0.33) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4776080 0.88 SIGMAR1 (0.36) APLNRMAT2ASIGMAR1PDE4BPSEN1

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 APLNR 4423/4885MAT2A 3361/4885RXRA 2913/4885

“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.