SCHEMBL4774895

SCHEMBL4774895

Cc1cncc(C=C(C(=O)O)C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC1 Q13547 3/20 0.37
KDM1A O60341 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL4774890 1.00 HCAR2 (0.40) HCAR2CES2CES1HDAC1KDM1A
SCHEMBL4769575 0.88 HCAR2 (0.42) HCAR2CES2CES1HDAC1MEN1
SCHEMBL4769572 0.88 HCAR2 (0.42) HCAR2CES2CES1HDAC1MEN1
SCHEMBL4778643 0.85 CES2 (0.44) CES2CES1MEN1KMT2AMAPT
SCHEMBL4778649 0.85 CES2 (0.44) CES2CES1MEN1KMT2AMAPT
SCHEMBL7913680 0.75 KMT2A (0.54) CES2CES1MEN1KMT2AMAPT
SCHEMBL4776131 0.74 CES2 (0.41) CES2CES1MEN1KMT2AMAPT
SCHEMBL4776117 0.74 CES2 (0.41) CES2CES1MEN1KMT2AMAPT
SCHEMBL7913686 0.72 KMT2A (0.54) CES2CES1MEN1KMT2AMAPT
SCHEMBL7949277 0.72 ALDH1A1 (0.48) CES2CES1MEN1KMT2AMAPT

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 HCAR2 1548/4885CES2 1517/4885CES1 1062/4885

“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.