SCHEMBL4770157

SCHEMBL4770157

CCn1ncc2c(-c3cncc(Br)c3)c(/C=C/C(=O)O)c(C3CCCC3)nc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 9/20 0.33
RXRA P19793 1/20 0.33
PDE4B Q07343 2/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PDE5A O76074 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4770168 1.00 MAT2A (0.33) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4776277 0.96 RXRA (0.35) MAT2ARXRAPIK3CAMTOR
SCHEMBL4776285 0.96 RXRA (0.35) MAT2ARXRAPIK3CAMTOR
SCHEMBL4774966 0.90 APLNR (0.34) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4774960 0.90 APLNR (0.34) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4779743 0.90 PDE4B (0.34) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4779734 0.90 PDE4B (0.34) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4772561 0.89 APLNR (0.33) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4772540 0.89 APLNR (0.33) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL5116455 0.87 MAT2A (0.32) MAT2APDE4BPDE5A

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 3361/4885RXRA 2913/4885PDE4B 4/4885

“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.