SCHEMBL4772575

SCHEMBL4772575

CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(CC3CC3)nc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.37
PTGES O14684 3/20 0.37
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MAT2A P31153 2/20 0.32
SIGMAR1 Q99720 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL4774921 0.91 PDE4B (0.34) MAT2A
SCHEMBL4778995 0.89 FFAR4 (0.38) PTGS2PTGESPSEN1PSEN2APH1B
SCHEMBL4776470 0.87 ALDH1A1 (0.37) DPP4
SCHEMBL5367889 0.87 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4779562 0.86 MAT2A (0.36) PTGS2PTGESPSEN1PSEN2APH1B
SCHEMBL4774881 0.85 DPP4 (0.44) DPP4
SCHEMBL4778671 0.85 DPP4 (0.34) SIGMAR1DPP4
SCHEMBL4779750 0.85 ALDH1A1 (0.32) PTGS2PTGESMAT2ASIGMAR1DPP4
SCHEMBL4774515 0.85 FFAR4 (0.35) PTGS2PTGESMAT2ASIGMAR1
SCHEMBL4772343 0.85 GLA (0.40) SIGMAR1DPP4

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 PTGS2 439/4885PTGES 562/4885PSEN1 1847/4885

“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.