SCHEMBL4770155

SCHEMBL4770155

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
MAT2A P31153 9/20 0.35
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
SIGMAR1 Q99720 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
NR3C1 P04150 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NR1I2 O75469 1/20 0.31
NR4A2 P43354 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE4B Q07343 1/20 0.31
APLNR P35414 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
SCHEMBL4770166 1.00 RXRA (0.35) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4774960 0.96 APLNR (0.34) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4772561 0.96 APLNR (0.33) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4774966 0.96 APLNR (0.34) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4772540 0.96 APLNR (0.33) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4779734 0.96 PDE4B (0.34) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4779743 0.96 PDE4B (0.34) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4776277 0.90 RXRA (0.35) RXRAMAT2APIK3CAMTORNR1I2
SCHEMBL4770120 0.90 RXRA (0.35) RXRAMAT2APSEN1PSEN2APH1B
SCHEMBL4770128 0.90 RXRA (0.35) RXRAMAT2APSEN1PSEN2APH1B

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 RXRA 2913/4885MAT2A 3361/4885PSEN1 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.