SCHEMBL5730854

SCHEMBL5730854

CCc1nc([C@H]2CC[C@H](C(C)(C)C)CC2)n2nc(-c3cccs3)[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.43
PDE1A P54750 3/20 0.40
PDE1B Q01064 3/20 0.40
PDE1C Q14123 3/20 0.40
KDM4E B2RXH2 4/20 0.34
PKM P14618 2/20 0.34
HPGD P15428 1/20 0.34
ERCC1 P07992 6/20 0.34
FEN1 P39748 6/20 0.34
ERCC4 Q92889 6/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL5730856 1.00 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5731103 1.00 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5730051 0.90 PDE5A (0.44) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5730268 0.89 PDE5A (0.51) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5730413 0.89 PDE5A (0.49) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL5845866 0.85 PDE5A (0.44) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL5845859 0.85 PDE5A (0.44) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL5729667 0.84 PDE5A (0.41) PDE5APDE1APDE1BPDE1CADORA1
SCHEMBL5728934 0.84 PDE5A (0.43) PDE5APDE1APDE1BPDE1CHPGD
SCHEMBL5728930 0.84 PDE5A (0.43) PDE5APDE1APDE1BPDE1CHPGD

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 PDE5A 3518/4885PDE1A 4223/4885PDE1B 4080/4885

“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.