SCHEMBL4060422

SCHEMBL4060422

O=C(CCNS(=O)(=O)Cc1ccccc1)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
TP53 P04637 2/20 0.40
ADORA1 P30542 2/20 0.40
CHEK1 O14757 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL4060458 0.81 ATM (0.46) MAPTGAAHDAC3HDAC1TP53
Hydrochloric Acid SCHEMBL4063248 0.78 HDAC3 (0.49) ADORA3ADORA2AMAPTGAAHDAC3
SCHEMBL4060416 0.78 MMP1 (0.50) ADORA3ADORA2AGAAHDAC3HDAC1
SCHEMBL7922563 0.76 TP53 (0.51) ADORA3ADORA2AMAPTGAAHDAC3
SCHEMBL13865114 0.75 LMNA (0.58) ADORA3ADORA2AMAPTGAAMAPK14
SCHEMBL13376879 0.72 ROCK1 (0.57) MAPTGAAMAPK14
SCHEMBL6566137 0.72 ADORA1 (0.56) ADORA3ADORA2AMAPTGAATP53
SCHEMBL4066251 0.72 MMP2 (0.44) ADORA3ADORA2AMAPTGAAHDAC3
SCHEMBL6225353 0.71 TP53 (0.46) ADORA3ADORA2AMAPTGAAHDAC3
SCHEMBL2055679 0.70 GSK3A (0.65) GSK3BGSK3A

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-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 ADORA3 30/4885ADORA2A 357/4885MAPT 22/4885
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 ADORA3 97/4885ADORA2A 214/4885MAPT 36/4885

“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.