SCHEMBL4779562

SCHEMBL4779562

CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(C3CC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 9/20 0.36
PTGS2 P35354 2/20 0.35
PTGES O14684 1/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
KMO O15229 1/20 0.32
PDE4B Q07343 1/20 0.32
SYK P43405 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
SCHEMBL4770021 0.96 PTGS2 (0.37) MAT2APTGS2PTGESPSEN1PSEN2
SCHEMBL4775049 0.96 PTGS2 (0.37) MAT2APTGS2PTGESPSEN1PSEN2
SCHEMBL27662703 0.87 PRKAA2 (0.36) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4772343 0.87 GLA (0.40) SIGMAR1KMO
SCHEMBL4772575 0.86 PTGS2 (0.37) MAT2APTGS2PTGESPSEN1PSEN2
SCHEMBL4777556 0.85 KMO (0.33) PTGS2PTGESPSEN1PSEN2APH1B
SCHEMBL4776470 0.84 ALDH1A1 (0.37) KMOPDE4B
SCHEMBL4772332 0.84 RXRA (0.40) KMOPDE4B
SCHEMBL4778959 0.84 DPP4 (0.34) PTGS2PTGESSIGMAR1KMOPDE4B
SCHEMBL27682188 0.83 SIGMAR1 (0.36) MAT2APSEN1PSEN2APH1BNCSTN

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 MAT2A 3361/4885PTGS2 439/4885PTGES 562/4885

“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.