SCHEMBL4774515

SCHEMBL4774515

CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(COCC3CCCCC3)nc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
PTGS2 P35354 2/20 0.34
PTGES O14684 1/20 0.34
PDE4B Q07343 3/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
PTGIR P43119 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PDE5A O76074 1/20 0.31
CTSS P25774 1/20 0.31
PRNP P04156 1/20 0.30
MAT2A P31153 1/20 0.30
S1PR1 P21453 1/20 0.30
LMNA P02545 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
SCHEMBL4778995 0.96 FFAR4 (0.38) FFAR4PTGS2PTGESPDE4BPTGIR
SCHEMBL4778657 0.92 PDE4B (0.36) PDE4BPDE1APDE1BPDE1CSIGMAR1
SCHEMBL4774910 0.88 PDE4B (0.33) FFAR4PDE4BPTGIRMAT2ALMNA
SCHEMBL4769980 0.87 PDE4B (0.35) FFAR4PDE4BPDE1APDE1BPDE1C
SCHEMBL4772575 0.85 PTGS2 (0.37) PTGS2PTGESSIGMAR1MAT2A
SCHEMBL4779750 0.85 ALDH1A1 (0.32) PTGS2PTGESPDE4BSIGMAR1MAT2A
SCHEMBL1818610 0.84 PDE4B (0.33) PDE4BPDE1APDE1BPDE1CSIGMAR1
SCHEMBL1818607 0.84 PDE4B (0.33) PDE4BPDE1APDE1BPDE1CSIGMAR1
SCHEMBL4771686 0.83 PDE1A (0.35) PDE4BPDE1APDE1BPDE1CSIGMAR1
SCHEMBL4770027 0.83 PTGIR (0.34) FFAR4PDE4BPTGIRSIGMAR1PRNP

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 FFAR4 1564/4885PTGS2 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.