SCHEMBL4769879

SCHEMBL4769879

CCn1ncc2c(-c3ccnc(Cl)c3)c(/C=C/C(=O)O)c(C3CCCC3)nc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 9/20 0.34
RXRA P19793 1/20 0.33
PDE4B Q07343 2/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
PDE4D Q08499 2/20 0.31
HTR2A P28223 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
NR3C1 P04150 2/20 0.31
PDE5A O76074 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
SCHEMBL4769886 1.00 MAT2A (0.34) MAT2ARXRAPDE4BACVR2ATGFBR2
SCHEMBL4770172 0.97 MAT2A (0.37) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4770164 0.97 MAT2A (0.37) MAT2ARXRAPDE4BPIK3CAMTOR
SCHEMBL4776472 0.88 ACVR2A (0.34) MAT2APDE4BACVR2ATGFBR2PDE5A
SCHEMBL4772382 0.85 NR3C1 (0.36) MAT2APDE4BNR3C1PDE5A
SCHEMBL4772379 0.85 NR3C1 (0.36) MAT2APDE4BNR3C1PDE5A
SCHEMBL4775034 0.84 MAT2A (0.34) MAT2A
SCHEMBL4775031 0.84 MAT2A (0.34) MAT2A
SCHEMBL4776405 0.84 MAT2A (0.36) MAT2A
SCHEMBL27682210 0.83 ACVR2A (0.35) MAT2APDE4BACVR2ATGFBR2PDE4D

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.