SCHEMBL4062589

SCHEMBL4062589

Cc1cccc(CC(=O)NC(C)C(=O)Nc2cc(-c3ccccc3)n[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
ADORA3 P0DMS8 5/20 0.43
ADORA2A P29274 5/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F2 P00734 1/20 0.42
FFAR2 O15552 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACR P10323 1/20 0.40
MAPK8 P45983 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
P2RY14 Q15391 1/20 0.40
GLS O94925 1/20 0.40
PSEN1 P49768 1/20 0.39

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
SCHEMBL4060451 0.92 ADORA3 (0.48) ADORA3ADORA2AADORA1ADORA2BF2
SCHEMBL4056067 0.89 FFAR2 (0.48) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL4063019 0.88 PSMB5 (0.49) ADORA3ADORA2AADORA1ADORA2BF2
SCHEMBL4057461 0.85 PSEN1 (0.48) ADORA3ADORA2AADORA1ADORA2BF2
SCHEMBL4065957 0.83 PSEN1 (0.47) ADORA3ADORA2AADORA1ADORA2BF2
SCHEMBL4063999 0.82 MET (0.44) ADORA3ADORA2AADORA1ADORA2BMEN1
SCHEMBL4063038 0.82 FFAR2 (0.47) ADORA3ADORA2AADORA1ADORA2BF2
SCHEMBL4056153 0.81 SUCNR1 (0.43) ADORA3ADORA2AADORA1ADORA2BF2
SCHEMBL4054478 0.81 ELOVL1 (0.46) ADORA3ADORA2AADORA1ADORA2BACR
SCHEMBL5383791 0.81 CACNA1H (0.45) CACNA1GCACNA1HCACNA1IADORA3ADORA2A

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 11 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
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 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 CACNA1G 3142/4885CACNA1H 3483/4885CACNA1I 3063/4885
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 CACNA1G 1404/4885CACNA1H 1814/4885CACNA1I 974/4885

“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.