SCHEMBL4770079

SCHEMBL4770079

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

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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 3/20 0.31
PIM2 Q9P1W9 1/20 0.31
PTGS2 P35354 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
RARB P10826 1/20 0.31
NR3C1 P04150 1/20 0.30
APLNR P35414 1/20 0.30
PDE4B Q07343 1/20 0.30
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
SCHEMBL4770062 1.00 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4772699 0.89 PTGIR (0.32) MAT2A
SCHEMBL4772686 0.89 PTGIR (0.32) MAT2A
SCHEMBL4770211 0.89 NR3C1 (0.33) SIGMAR1NR3C1DPP4
SCHEMBL4770200 0.89 NR3C1 (0.33) SIGMAR1NR3C1DPP4
SCHEMBL4769960 0.87 SMN1; SMN2 (0.32) SIGMAR1NR3C1
SCHEMBL4769952 0.87 SMN1; SMN2 (0.32) SIGMAR1NR3C1
SCHEMBL4778031 0.87 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4772522 0.87 SMN1; SMN2 (0.36) SIGMAR1NR3C1DPP4
SCHEMBL4772526 0.87 SMN1; SMN2 (0.36) SIGMAR1NR3C1DPP4

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 PSEN1 1847/4885PSEN2 2525/4885APH1B 2743/4885

“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.