SCHEMBL4776084

SCHEMBL4776084

CCn1ncc2c(-c3cccnc3)c(CCC(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.39
HPGD P15428 4/20 0.37
F2 P00734 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GFER P55789 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL4772785 0.92 GLA (0.46) KMT2AMEN1GLAHPGDCYP2C19
SCHEMBL4775027 0.89 MEN1 (0.48) TBXAS1KMT2AMEN1LMNAKDM4E
SCHEMBL4772332 0.87 RXRA (0.40) KMT2AMEN1GLAHPGDMAPT
SCHEMBL27682170 0.86 TBXAS1 (0.43) TBXAS1KMT2AMEN1HPGDMAPT
SCHEMBL4772372 0.81 MAPT (0.47) KMT2AMEN1HPGDCYP2C19CYP1A2
SCHEMBL4777489 0.80 TBXAS1 (0.44) TBXAS1KMT2AMEN1HPGDCYP2C19
SCHEMBL4776153 0.80 TBXAS1 (0.40) TBXAS1KMT2AMEN1HPGDF2
SCHEMBL4776157 0.80 TBXAS1 (0.40) TBXAS1KMT2AMEN1HPGDF2
SCHEMBL27682168 0.79 TBXAS1 (0.42) TBXAS1KMT2AMEN1HPGDMAPT
SCHEMBL4776352 0.78 KMT2A (0.37) KMT2AMEN1HPGDLMNAMAPT

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 4 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
CN-1980927-A Pyrazolopyridine derivatives ASTELLAS PHARMA INC (JP) 2007-06-13 CN 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 TBXAS1 635/4885KMT2A 3727/4885MEN1 3100/4885

“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.