SCHEMBL4774967

SCHEMBL4774967

CCn1ncc2c(C3CCOCC3)c(C=CC(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.42
PIK3CA P42336 4/20 0.38
MTOR P42345 4/20 0.38
PIM2 Q9P1W9 1/20 0.36
RXRA P19793 1/20 0.36
NR4A1 P22736 1/20 0.36
RXRB P28702 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34

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
SCHEMBL4774955 1.00 PDE4B (0.42) PDE4BPIK3CAMTORPIM2RXRA
SCHEMBL4776513 0.91 PIK3CA (0.37) PDE4BPIK3CAMTORPIM2RXRA
SCHEMBL4776520 0.91 PIK3CA (0.37) PDE4BPIK3CAMTORPIM2RXRA
SCHEMBL4779655 0.88 PDE4B (0.40) PDE4BPIK3CAMTORHPGD
SCHEMBL4772301 0.80 SMN1; SMN2 (0.39) PDE4BPIK3CAMTORRXRANR4A1
SCHEMBL4772312 0.80 SMN1; SMN2 (0.39) PDE4BPIK3CAMTORRXRANR4A1
SCHEMBL4778920 0.78 GRM5 (0.40) PDE4BPIK3CAMTORHPGD
SCHEMBL4778516 0.78 RARB (0.37) PDE4BPIK3CAMTORNPC1HPGD
SCHEMBL4778518 0.78 RARB (0.37) PDE4BPIK3CAMTORNPC1HPGD
SCHEMBL4772588 0.78 KDM5A (0.37) PDE4BPIK3CAMTORHPGD

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 4/4885PIK3CA 718/4885MTOR 3028/4885

“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.