SCHEMBL4778773

SCHEMBL4778773

COc1cncc(/C=C(\C(=O)O)C(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MKNK2 Q9HBH9 2/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PRKACA P17612 1/20 0.43
ROCK1 Q13464 1/20 0.43
DYRK1A Q13627 1/20 0.43
NTRK3 Q16288 1/20 0.43
PKN2 Q16513 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
BCHE P06276 2/20 0.42
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 3/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL4778777 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL4769572 0.82 HCAR2 (0.42) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL4769575 0.82 HCAR2 (0.42) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL4778643 0.82 CES2 (0.44) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL4778649 0.82 CES2 (0.44) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL4771946 0.80 HTT (0.51) KMT2AMEN1ALDH1A1CYP1A1CYP1A2
SCHEMBL4771942 0.80 HTT (0.51) KMT2AMEN1ALDH1A1CYP1A1CYP1A2
SCHEMBL4777757 0.80 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL4777769 0.80 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL12966330 0.75 MKNK2 (0.46) KMT2AMEN1ALDH1A1MKNK2ROCK2

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 KMT2A 3727/4885MEN1 3100/4885ALDH1A1 774/4885

“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.