SCHEMBL4776477

SCHEMBL4776477

CCOC(=O)CCCCc1c(COC)nc2c(cnn2CC)c1-c1cncc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4776243 0.95 LMNA (0.35) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4778876 0.91 DPP4 (0.34) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4779750 0.88 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4772269 0.88 LMNA (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4772262 0.87 TSHR (0.41) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4772589 0.83 MAPT (0.33) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4774910 0.83 PDE4B (0.33) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4774921 0.82 PDE4B (0.34) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4772650 0.81 MAPT (0.32) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL4778657 0.81 PDE4B (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19

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 ALDH1A1 774/4885SMN1; SMN2 2957/4885CYP1A2 450/4885

“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.