SCHEMBL4057014

SCHEMBL4057014

CC(NC(=O)C(O)C(C)C)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.50
ADORA3 P0DMS8 3/20 0.50
ADORA2A P29274 3/20 0.50
ADORA2B P29275 1/20 0.50
ACR P10323 2/20 0.46
CHEK1 O14757 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
PIM1 P11309 1/20 0.44
PDGFRA P16234 1/20 0.44
GSK3B P49841 1/20 0.44
RPS6KA3 P51812 1/20 0.44
LIMK1 P53667 1/20 0.44
CDK5 Q00535 1/20 0.44
TYRO3 Q06418 1/20 0.44
MAPK14 Q16539 1/20 0.44
LRRK2 Q5S007 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL4055418 0.87 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL4058704 0.84 ADORA1 (0.48) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL4065583 0.83 ADORA3 (0.46) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL4062416 0.82 PSEN1 (0.46) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL4058155 0.82 ADORA3 (0.45) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL4060451 0.81 ADORA3 (0.48) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL4054820 0.81 ADORA3 (0.50) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL4057092 0.80 ADORA3 (0.42) ADORA1ADORA3ADORA2AADORA2BACR
SCHEMBL8312713 0.80 MMP1 (0.35) ADORA1ADORA3ADORA2AADORA2BMAPK14
SCHEMBL5489292 0.80 MMP1 (0.35) ADORA1ADORA3ADORA2AADORA2BMAPK14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
US-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO 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 (2 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-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 ADORA1 16/4885ADORA3 30/4885ADORA2A 357/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 ADORA1 27/4885ADORA3 97/4885ADORA2A 214/4885

“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.