SCHEMBL4772729

SCHEMBL4772729

COC(=O)C(=Cc1ccnc(Cl)c1)C(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ABL1 P00519 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
TYK2 P29597 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4772724 1.00 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL4769565 0.82 MEN1 (0.42) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL4769569 0.82 MEN1 (0.42) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL4777892 0.76 MAPT (0.37) PIK3C3MAPTHPGDLMNASMN1; SMN2
SCHEMBL4777886 0.76 MAPT (0.37) PIK3C3MAPTHPGDLMNASMN1; SMN2
SCHEMBL4778025 0.75 MAPT (0.40) MAPTHPGD
SCHEMBL4778029 0.75 MAPT (0.40) MAPTHPGD
SCHEMBL9735962 0.73 MEN1 (0.50) MAPTLMNA
SCHEMBL9735963 0.73 MEN1 (0.50) MAPTLMNA
SCHEMBL9735955 0.73 MEN1 (0.50) MAPTLMNA

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 6 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
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 TAS1R3 1490/4885TAS1R1 1441/4885TAS1R2 1621/4885

“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.