SCHEMBL4770126

SCHEMBL4770126

CCOC(=O)CCc1c(CN2CCOCC2)nc2c(cnn2CC)c1-c1cncc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDE4B Q07343 4/20 0.34
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4778731 0.91 GSK3B (0.37) GSK3BDYRK1APDE4BPIK3CAMTOR
SCHEMBL4772269 0.86 LMNA (0.36) PDE4BL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4772262 0.85 TSHR (0.41) PDE4BL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4776243 0.84 LMNA (0.35) PDE4BL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4774921 0.84 PDE4B (0.34) PDE4BL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4774910 0.81 PDE4B (0.33) PDE4BL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4772453 0.81 MEN1 (0.36) PDE4BL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4775096 0.80 HSD17B10 (0.37) PDE4BL3MBTL1GAAKMT2AMEN1
SCHEMBL4774667 0.80 PDE4B (0.35) PDE4BL3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4776477 0.79 ALDH1A1 (0.35) PDE4BKMT2AMEN1SMN1; SMN2KDM4E

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 6 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
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN 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 GSK3B 2140/4885DYRK1A 2296/4885PDE4B 4/4885

“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.