SCHEMBL5730633

SCHEMBL5730633

CCc1nc([C@H]2CC[C@@H](C(C)(C)C)CC2)n2nc(-c3nccs3)[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.43
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1C Q14123 4/20 0.38
NPC1 O15118 1/20 0.33
PDE10A Q9Y233 2/20 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
SCHEMBL5731099 0.89 PDE5A (0.51) PDE5APDE1APDE1BPDE1CPDE10A
SCHEMBL5729919 0.84 PDE5A (0.42) PDE5APDE1APDE1BPDE1C
SCHEMBL5728915 0.84 PDE5A (0.42) PDE5APDE1APDE1BPDE1C
SCHEMBL5730922 0.83 PDE5A (0.44) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL5730854 0.83 PDE5A (0.43) PDE5APDE1APDE1BPDE1C
SCHEMBL5730920 0.83 PDE5A (0.44) PDE5APDE1APDE1BPDE1CNPC1
SCHEMBL5731103 0.83 PDE5A (0.43) PDE5APDE1APDE1BPDE1C
SCHEMBL5730856 0.83 PDE5A (0.43) PDE5APDE1APDE1BPDE1C
SCHEMBL5728930 0.82 PDE5A (0.43) PDE5APDE1APDE1BPDE1C
SCHEMBL5728934 0.82 PDE5A (0.43) PDE5APDE1APDE1BPDE1C

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 5 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-1292608-B1 NOVEL COMPOUNDS OF THE N-ACYLAMINO-AMIDE FAMILY, COMPOSITIONS COMPRISING SAME, AND USES OREAL (FR) 2004-07-21 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.