SCHEMBL4779734

SCHEMBL4779734

CCn1ncc2c(-c3cncc(C)c3)c(/C=C/C(=O)O)c(C3CCCCC3)nc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.34
APLNR P35414 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAT2A P31153 7/20 0.33
RXRA P19793 1/20 0.33
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE10A Q9Y233 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PIM2 Q9P1W9 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL4779743 1.00 PDE4B (0.34) PDE4BAPLNRSIGMAR1MAT2ARXRA
SCHEMBL4774966 0.99 APLNR (0.34) PDE4BAPLNRSIGMAR1MAT2ARXRA
SCHEMBL4774960 0.99 APLNR (0.34) PDE4BAPLNRSIGMAR1MAT2ARXRA
SCHEMBL4772540 0.97 APLNR (0.33) PDE4BAPLNRSIGMAR1MAT2ARXRA
SCHEMBL4772561 0.97 APLNR (0.33) PDE4BAPLNRSIGMAR1MAT2ARXRA
SCHEMBL4770166 0.96 RXRA (0.35) PDE4BAPLNRSIGMAR1MAT2ARXRA
SCHEMBL4770155 0.96 RXRA (0.35) PDE4BAPLNRSIGMAR1MAT2ARXRA
SCHEMBL4770168 0.90 MAT2A (0.33) PDE4BMAT2ARXRAPDE5APIK3CA
SCHEMBL4770157 0.90 MAT2A (0.33) PDE4BMAT2ARXRAPDE5APIK3CA
SCHEMBL4776507 0.87 SIGMAR1 (0.37) PDE4BAPLNRSIGMAR1MAT2APDE5A

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 4/4885APLNR 4423/4885SIGMAR1 1838/4885

“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.