SCHEMBL4771752

SCHEMBL4771752

CCn1ncc2c(-c3ccnc(C)c3)c(C=CC(=O)O)c(C(C)C)nc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
ADORA2A P29274 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR8 Q9NR97 5/20 0.32
TLR7 Q9NYK1 5/20 0.32
TLR9 Q9NR96 4/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR3C1 P04150 2/20 0.31
DPP4 P27487 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
SCHEMBL4771737 1.00 PDE4B (0.33) PDE4BCLK1DYRK1AADORA2ABCDIN3D
SCHEMBL4774046 0.90 NR3C1 (0.33) PDE4BADORA2ABCDIN3DNR3C1
SCHEMBL4774041 0.90 NR3C1 (0.33) PDE4BADORA2ABCDIN3DNR3C1
SCHEMBL4769868 0.87 CLK1 (0.36) PDE4BCLK1DYRK1AADORA2ABCDIN3D
SCHEMBL4777843 0.83 NR3C1 (0.32) PDE4BBCDIN3DMAPTTSHRNPSR1
SCHEMBL4777846 0.83 NR3C1 (0.32) PDE4BBCDIN3DMAPTTSHRNPSR1
SCHEMBL4772839 0.81 DYRK1A (0.33) PDE4BDYRK1AADORA2ABCDIN3DNR3C1
SCHEMBL4769895 0.81 BCDIN3D (0.31) BCDIN3D
SCHEMBL4769887 0.81 BCDIN3D (0.31) BCDIN3D
SCHEMBL4772833 0.81 DYRK1A (0.33) PDE4BDYRK1AADORA2ABCDIN3DNR3C1

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 4/4885CLK1 3640/4885DYRK1A 2296/4885

“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.