SCHEMBL4769868

SCHEMBL4769868

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR8 Q9NR97 7/20 0.33
TLR7 Q9NYK1 7/20 0.33
PDE4B Q07343 1/20 0.32
ADORA2A P29274 3/20 0.32
BCDIN3D Q7Z5W3 1/20 0.31
ACVR2A P27037 1/20 0.31
TGFBR2 P37173 1/20 0.31
TLR9 Q9NR96 5/20 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
SCHEMBL4777655 0.89 ADORA3 (0.33) MAPTTSHRRECQLNPSR1PDE4B
SCHEMBL4771752 0.87 PDE4B (0.33) CLK1DYRK1AMAPTTSHRRECQL
SCHEMBL4771737 0.87 PDE4B (0.33) CLK1DYRK1AMAPTTSHRRECQL
SCHEMBL4778740 0.81 SIGMAR1 (0.33) MAPTTSHRRECQLNPSR1BCDIN3D
SCHEMBL4776274 0.81 PDE4B (0.45) MAPTTSHRNPSR1PDE4BADORA2A
SCHEMBL4772626 0.81 GCGR (0.43)
SCHEMBL4772433 0.80 FFAR1 (0.34) CLK1DYRK1AMAPTTSHRRECQL
SCHEMBL4769971 0.78 ADORA3 (0.34) DYRK1AADORA2A
SCHEMBL4778882 0.78 PDE10A (0.30)
SCHEMBL4778624 0.77 MAPT (0.36) MAPTTSHRRECQLNPSR1PDE4B

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 3 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
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 CLK1 3640/4885DYRK1A 2296/4885MAPT 2816/4885

“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.