SCHEMBL613034

SCHEMBL613034

Cn1c(=O)c2[nH]ccc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA2B P29275 4/20 0.46
ATAD2 Q6PL18 1/20 0.46
PIK3CD O00329 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
ALPL P05186 1/20 0.44
TMIGD3 P0DMS9 1/20 0.44
PDE4A P27815 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HIF1A Q16665 1/20 0.44
BRD4 O60885 1/20 0.43
TAF1 P21675 1/20 0.43
BRPF1 P55201 1/20 0.43
CREBBP Q92793 1/20 0.43
CECR2 Q9BXF3 1/20 0.43
BRD9 Q9H8M2 1/20 0.43

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
SCHEMBL24559423 0.81 OPRM1 (0.38) ADORA2AADORA2BPIK3CDHIF1ABRD4
SCHEMBL30275447 0.77 PIK3CD (0.46) ADORA2AADORA2BATAD2PIK3CDCYP2C19
SCHEMBL19399990 0.77 CYP1A2 (0.56) ADORA2AADORA2BADORA3PDE4APDE4B
SCHEMBL21183490 0.72 SIRT2 (0.44) ADORA2AADORA2BATAD2PIK3CDBRD4
SCHEMBL8317662 0.71 RXFP1 (0.45) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL609776 0.68 PDE3B (0.43) ATAD2
SCHEMBL13238204 0.68 ADORA2B (0.52) ADORA2AADORA2BADORA3ADORA1BRD4
SCHEMBL14191781 0.67 BRD4 (0.33) ADORA2ABRD4TAF1BRPF1CREBBP
SCHEMBL21183489 0.67 RXFP1 (0.49) ADORA2AADORA2BADORA3ADORA1BRD4
SCHEMBL611873 0.67 ADORA2B (0.59) ADORA2AADORA2BATAD2PIK3CDADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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
US-20080032229-A1 BOTTOM ANTIREFLECTIVE COATINGS TOUKHY MEDHAT A 2008-02-07 US disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 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 ADORA2A 59/4885ADORA2B 117/4885ATAD2 1145/4885
US-20120041004-A1 FUSED PYRIMIDINE-DIONE DERIVATIVES AS TRPAI MODULATORS TRPA1, TRPV1, TRPC3 ADORA2A 61/4885ADORA2B 137/4885ATAD2 1743/4885

“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.