SCHEMBL1798181

SCHEMBL1798181

COC(=O)C(C)(C)n1cc(N)nc1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TSHR P16473 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
KCNN4 O15554 1/20 0.30

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
SCHEMBL5667886 0.87 ALDH1A1 (0.40)
SCHEMBL1797347 0.75 ALDH1A1 (0.45)
SCHEMBL1799285 0.68 PSEN1 (0.38) MAPK1TSHRPIK3R1PIK3CAKCNN4
SCHEMBL5667988 0.68 ALDH1A1 (0.38)
SCHEMBL15650745 0.67 HPGD (0.33) MAPK1TP53RAB9AADORA3ADORA2A
SCHEMBL31560852 0.65 MEN1 (0.36) MAPK1TSHRKCNN4
SCHEMBL15651578 0.64 HCRTR1 (0.37) TSHRPIK3R1PIK3CAKCNN4
SCHEMBL23582300 0.64 ALDH1A1 (0.36) MAPK1RAB9ATSHRKCNN4
SCHEMBL15652519 0.63 ADA (0.36) TP53RAB9ATSHRPIK3R1PIK3CA
SCHEMBL31687187 0.62 ADORA2A (0.33) MAPK1ADORA3ADORA2AADORA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1934091-B imidazole compounds for the treatment of neurodegenerative disorders PFIZER PRODUCTS INC. (US) 2012-02-08 CN disclosed
US-7951958-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2011-05-31 US disclosed
US-7795447-B2 4-(Acylaminoacetylamino)imidazole derivatives, e.g., methyl 3-(4-{2-[2-(3,5-Difluorophenyl)acetylamino]pentanoylamino}imidazol-1-yl)butyrate; treating neurodegenerative and/or neurological disorders such as Alzheimer's disease and Down's Syndrome PFIZER INC (US) 2010-09-14 US disclosed
US-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC (US) 2010-07-01 US disclosed
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-09-18 US disclosed
EP-1730119-B1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-06-25 EP disclosed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US disclosed
CN-1934091-A Imidazole compounds for the treatment of neurodegenerative disorders PFIZER (US) 2007-03-21 CN 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-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 MAPK1 1378/4885TP53 2033/4885RAB9A 981/4885
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 MAPK1 1378/4885TP53 2033/4885RAB9A 981/4885

“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.