SCHEMBL4774875

SCHEMBL4774875

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 9/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL4776080 0.97 SIGMAR1 (0.36) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4778900 0.96 SIGMAR1 (0.35) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4776507 0.95 SIGMAR1 (0.37) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4776109 0.89 MAT2A (0.34) MAT2A
SCHEMBL4774982 0.89 PSEN1 (0.35) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4770155 0.87 RXRA (0.35) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4770166 0.87 RXRA (0.35) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL5116455 0.85 MAT2A (0.32) MAT2APDE1APDE1BPDE1C
SCHEMBL4772561 0.85 APLNR (0.33) MAT2APSEN1PSEN2APH1BNCSTN
SCHEMBL4772540 0.85 APLNR (0.33) 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 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 MAT2A 3361/4885PSEN1 1847/4885PSEN2 2525/4885

“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.