SCHEMBL4769467

SCHEMBL4769467

CCn1ncc2c(-c3ccc(Cl)s3)c(/C=C/C(=O)O)c(C3CC3)nc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 9/20 0.35
PTGER3 P43115 2/20 0.33
RXRA P19793 1/20 0.33
MAPT P10636 1/20 0.32
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
LRRK2 Q5S007 2/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL4769472 1.00 MAT2A (0.35) MAT2APTGER3RXRAMAPTPDE4B
SCHEMBL4776551 0.87 MAT2A (0.34) MAT2APTGER3SIGMAR1LRRK2
SCHEMBL4772664 0.84 MAT2A (0.33) MAT2APTGER3SIGMAR1
SCHEMBL4772666 0.84 MAT2A (0.33) MAT2APTGER3SIGMAR1
SCHEMBL4778610 0.84 NPC1 (0.31) PDE4BPDE4DSIGMAR1NPC1ALDH1A1
SCHEMBL4778606 0.84 NPC1 (0.31) PDE4BPDE4DSIGMAR1NPC1ALDH1A1
SCHEMBL4769613 0.83 HPGD (0.34) RXRAMAPTSIGMAR1NPC1ALDH1A1
SCHEMBL4769606 0.83 HPGD (0.34) RXRAMAPTSIGMAR1NPC1ALDH1A1
SCHEMBL27662583 0.82 MAT2A (0.35) MAT2APTGER3MAPTPDE4BPDE4D
SCHEMBL4770164 0.81 MAT2A (0.37) MAT2APTGER3RXRAPDE4BPIK3CA

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 3361/4885PTGER3 210/4885RXRA 2913/4885

“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.