SCHEMBL4065334

SCHEMBL4065334

CC(NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CSNK1D P48730 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
PSMB5 P28074 1/20 0.40
SCN9A Q15858 1/20 0.39
WNT3A P56704 1/20 0.39
F2 P00734 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
VNN1 O95497 1/20 0.38
ACR P10323 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL5383791 0.86 CACNA1H (0.45) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4056969 0.82 ADORA3 (0.42) NTRK1ADORA3ADORA2AADORA2BADORA1
SCHEMBL4060451 0.81 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4059755 0.81 RAF1 (0.40) NTRK1ADORA3ADORA2AADORA2BADORA1
SCHEMBL4063999 0.80 MET (0.44) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4063038 0.80 FFAR2 (0.47) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4057461 0.79 PSEN1 (0.48) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4056153 0.78 SUCNR1 (0.43) ADORA3ADORA2AADORA2BADORA1WNT3A
SCHEMBL4062998 0.78 MAPK8 (0.41) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4056067 0.77 FFAR2 (0.48) ADORA3ADORA2AADORA2BADORA1F2

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 9 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
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 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 (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 NTRK1 3872/4885ADORA3 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 NTRK1 3075/4885ADORA3 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.