SCHEMBL4771946

SCHEMBL4771946

O=C(O)C(=Cc1cncc(Br)c1)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
POLB P06746 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
EGFR P00533 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38
PADI4 Q9UM07 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4771942 1.00 HTT (0.51) HTTALOX15POLBHCAR2SMN1; SMN2
SCHEMBL4777757 0.83 ALDH1A1 (0.43) HTTPOLBHCAR2SMN1; SMN2ALDH1A1
SCHEMBL4769575 0.83 HCAR2 (0.42) HTTPOLBHCAR2ALDH1A1KMT2A
SCHEMBL4777769 0.83 ALDH1A1 (0.43) HTTPOLBHCAR2SMN1; SMN2ALDH1A1
SCHEMBL4769572 0.83 HCAR2 (0.42) HTTPOLBHCAR2ALDH1A1KMT2A
SCHEMBL4778773 0.80 KMT2A (0.48) POLBALDH1A1KMT2AMAPTLMNA
SCHEMBL4778777 0.80 KMT2A (0.48) POLBALDH1A1KMT2AMAPTLMNA
SCHEMBL4537053 0.77 HTT (0.50) HTTALOX15POLBHCAR2SMN1; SMN2
SCHEMBL13585158 0.77 HTT (0.50) HTTALOX15POLBHCAR2SMN1; SMN2
SCHEMBL4540899 0.77 HTT (0.50) HTTALOX15POLBHCAR2SMN1; SMN2

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 HTT 3715/4885ALOX15 4698/4885POLB 1288/4885

“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.