SCHEMBL4772589

SCHEMBL4772589

CCn1ncc2c(-c3cncc(C)c3)c(CO)c(COC)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RECQL P46063 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PDE10A Q9Y233 3/20 0.32
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 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
SCHEMBL27682181 0.89 SIGMAR1 (0.35) MAPTTSHRNPSR1RECQLSIGMAR1
SCHEMBL4776541 0.89 PDE10A (0.32) MAPTTSHRNPSR1RECQLPDE10A
SCHEMBL27682178 0.89 PDE10A (0.35) MAPTTSHRNPSR1RECQLPDE10A
SCHEMBL27662535 0.87 MAPT (0.31) MAPTTSHRNPSR1RECQLSIGMAR1
SCHEMBL4779750 0.86 ALDH1A1 (0.32) MAPTTSHRNPSR1RECQLSIGMAR1
SCHEMBL5116230 0.86 MAPT (0.35) MAPTTSHRNPSR1RECQLSIGMAR1
SCHEMBL4772587 0.86 MAPT (0.33) MAPTTSHRNPSR1RECQLMEN1
SCHEMBL4772650 0.86 MAPT (0.32) MAPTTSHRNPSR1RECQLMEN1
SCHEMBL27662807 0.85 DPP4 (0.34) SIGMAR1
SCHEMBL27682153 0.85 PDE10A (0.36) MAPTTSHRNPSR1RECQLSIGMAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP claimed
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN claimed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP claimed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO claimed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US claimed
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 MAPT 2816/4885TSHR 1221/4885NPSR1 1241/4885

“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.