SCHEMBL4769575

SCHEMBL4769575

Cc1cncc(C=C(C(=O)O)C(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36
AKR1C1 Q04828 2/20 0.36
CYP19A1 P11511 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
SCHEMBL4769572 1.00 HCAR2 (0.42) HCAR2KMT2AALDH1A1LMNAGAA
SCHEMBL4774890 0.88 HCAR2 (0.40) HCAR2KMT2AALDH1A1LMNAMAPT
SCHEMBL4774895 0.88 HCAR2 (0.40) HCAR2KMT2AALDH1A1LMNAMAPT
SCHEMBL4778649 0.85 CES2 (0.44) KMT2AALDH1A1GAAMAPTCES2
SCHEMBL4778643 0.85 CES2 (0.44) KMT2AALDH1A1GAAMAPTCES2
SCHEMBL4771942 0.83 HTT (0.51) HCAR2KMT2AALDH1A1LMNAGAA
SCHEMBL4771946 0.83 HTT (0.51) HCAR2KMT2AALDH1A1LMNAGAA
SCHEMBL4777757 0.83 ALDH1A1 (0.43) HCAR2KMT2AALDH1A1LMNAGAA
SCHEMBL4777769 0.83 ALDH1A1 (0.43) HCAR2KMT2AALDH1A1LMNAGAA
SCHEMBL4778773 0.82 KMT2A (0.48) KMT2AALDH1A1LMNAGAAMAPT

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 1548/4885KMT2A 3727/4885ALDH1A1 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.