SCHEMBL5729111

SCHEMBL5729111

CCc1nc(CC2CCCCC2)n2nc(-c3cccs3)[nH]c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
PDE5A O76074 3/20 0.37
ERCC1 P07992 6/20 0.36
FEN1 P39748 6/20 0.36
ERCC4 Q92889 6/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
ADORA2A P29274 1/20 0.35
DNASE1 P24855 1/20 0.34
PDE4C Q08493 1/20 0.33

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
SCHEMBL5884372 0.84 PDE5A (0.42) PDE5APDE1APDE1BPDE1C
SCHEMBL5730268 0.83 PDE5A (0.51) ADORA1PDE5AERCC1FEN1ERCC4
SCHEMBL5730413 0.81 PDE5A (0.49) ADORA1PDE5AERCC1FEN1ERCC4
SCHEMBL5730447 0.81 ERCC1 (0.41) PDE5AERCC1FEN1ERCC4KDM4E
SCHEMBL5884371 0.80 PDE5A (0.42) PDE5APDE1APDE1BPDE1C
SCHEMBL5730051 0.78 PDE5A (0.44) ADORA1PDE5AERCC1FEN1ERCC4
SCHEMBL5883216 0.76 ADORA2B (0.37) ADORA1PDE5APDE1CADORA3ADORA2A
SCHEMBL5730009 0.76 KDM4E (0.34) ADORA1PDE5AERCC1FEN1ERCC4
SCHEMBL5730854 0.76 PDE5A (0.43) ADORA1PDE5AERCC1FEN1ERCC4
SCHEMBL5730856 0.76 PDE5A (0.43) ADORA1PDE5AERCC1FEN1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases BAYER HEALTHCARE AG (DE) 2006-12-28 US disclosed
EP-1399439-B1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2006-06-14 EP disclosed
EP-1399439-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES Bayer HealthCare AG (DE) 2004-03-24 EP disclosed
WO-2002098873-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2002-12-12 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 (1 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-20060293326-A1 2-Heteroaryl-imidazotriazinones and their use in the treatment of inflammatory or immune diseases REL, AHR, SULT2A1 ADORA1 1434/4885PDE5A 3518/4885ERCC1 2279/4885

“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.