SCHEMBL4772738

SCHEMBL4772738

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CASP3 P42574 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4774000 1.00 POLB (0.37) POLBHCAR2CYP1A2CYP3A4CYP2C19
SCHEMBL4772731 1.00 POLB (0.37) POLBHCAR2CYP1A2CYP3A4CYP2C19
SCHEMBL4775073 0.85 ATM (0.39) HCAR2CYP2C19ATM
SCHEMBL4775068 0.85 ATM (0.39) HCAR2CYP2C19ATM
SCHEMBL4777885 0.85 MEN1 (0.49) POLBCYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL4777889 0.85 MEN1 (0.49) POLBCYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL4779625 0.80 PTGIR (0.35) POLBHCAR2L3MBTL1ATMSMN1; SMN2
SCHEMBL4779637 0.80 PTGIR (0.35) POLBHCAR2L3MBTL1ATMSMN1; SMN2
SCHEMBL4771946 0.72 HTT (0.51) POLBHCAR2CYP1A2CYP3A4HTT
SCHEMBL4771942 0.72 HTT (0.51) POLBHCAR2CYP1A2CYP3A4HTT

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 POLB 1288/4885HCAR2 1548/4885CYP1A2 450/4885

“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.