SCHEMBL480553

SCHEMBL480553

Cc1c(N)c(=O)n(C)c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 2/20 0.39
BCHE P06276 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
LGMN Q99538 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
ADORA2A P29274 2/20 0.34
PIK3CD O00329 1/20 0.34
ALPL P05186 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
PDE4A P27815 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL88218 0.77 ALDH1A1 (0.47) ATAD2KDM4EALDH1A1GLAKMT2A
SCHEMBL22521815 0.76 LGMN (0.38) ATAD2LGMN
Water SCHEMBL3902406 0.75 ALDH1A1 (0.46) ATAD2KDM4EALDH1A1GLAKMT2A
Hydrochloric Acid SCHEMBL6316692 0.75 ALDH1A1 (0.46) ATAD2KDM4EALDH1A1GLAKMT2A
SCHEMBL13024710 0.74 ATAD2 (0.39) ATAD2KDM4EALDH1A1LGMNPOLB
SCHEMBL13024384 0.74 ADORA2A (0.41) ATAD2KDM4EALDH1A1LGMNPOLB
SCHEMBL8175084 0.72 ADORA2A (0.48) ALDH1A1LMNAADORA2APDE4AADORA2B
SCHEMBL12169061 0.70 ADORA2A (0.36) ATAD2KDM4EALDH1A1LGMNPOLB
SCHEMBL1689679 0.70 LGMN (0.36) ATAD2KDM4EALDH1A1LGMNKMT2A
SCHEMBL15384321 0.70 ALDH1A1 (0.46) ATAD2KDM4EALDH1A1GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
WO-2020205646-A2 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-08 WO disclosed
EP-2708538-B1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators GLENMARK PHARMACEUTICALS SA (CH) 2015-08-12 EP disclosed
US-9000159-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-07 US disclosed
US-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-05-08 US disclosed
EP-2708538-A1 Process for preparing fused pyrimidine-dione derivatives, useful as as TRPA1 modulators Glenmark Pharmaceuticals S.A. (CH) 2014-03-19 EP disclosed
EP-2411393-B1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2014-01-22 EP disclosed
US-8623880-B2 Fused pyrimidine-dione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-07 US disclosed
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
EP-2411393-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2012-02-01 EP disclosed
US-8022122-B2 Derivatives of pyrimidines as flame retardants BASF SE (DE) 2011-09-20 US disclosed
WO-2010109287-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-09-30 WO disclosed
US-20090131565-A1 Derivatives of Pyrimidines as Flame Retardants BASF SE (DE) 2009-05-21 US disclosed
US-5185341-A Antiamnestic, antihypoxic compounds ARZNEIMITTELWERK DRESDEN GMBH (DE) 1993-02-09 US disclosed
EP-0484660-A1 Novel 5-(Phenoxyalcanoylamino)-uraciles, methodes for preparing them and their use as medicaments ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-05-13 EP disclosed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US disclosed
EP-0042593-B1 ARYLOXY-PROPANOL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1985-04-03 EP disclosed
US-4438128-A ADRENERGIC BLOCKERS BOEHRINGER MANNHEIM GMBH (DE) 1984-03-20 US disclosed
EP-0042593-A1 Aryloxy-propanol amines, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-12-30 EP 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-20140128603-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ATAD2 1145/4885BCHE 4357/4885PTGS2 214/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 ATAD2 1743/4885BCHE 4562/4885PTGS2 389/4885

“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.