SCHEMBL5828012

SCHEMBL5828012

CCCCCn1c(=O)n2cnnc2c2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCOCC4)ccc3OCCC)nc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.54
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5827830 0.98 PDE5A (0.55) PDE5ATSHRCA12CA9POLB
SCHEMBL5827720 0.97 PDE5A (0.58) PDE5ATSHRCA12CA9
SCHEMBL5827644 0.96 PDE5A (0.55) PDE5ATSHRCA12CA9POLB
SCHEMBL5827604 0.95 PDE5A (0.59) PDE5ATSHRCA12CA9
SCHEMBL5828114 0.94 PDE5A (0.54) PDE5ATSHRCA12CA9POLB
SCHEMBL5827506 0.92 PDE5A (0.56) PDE5A
SCHEMBL5827375 0.92 PDE5A (0.60) PDE5ATSHRCA12CA9
SCHEMBL5827909 0.90 PDE5A (0.58) PDE5ATSHRCA12CA9
SCHEMBL5827332 0.90 PDE5A (0.56) PDE5ACA12CA9
SCHEMBL5827612 0.90 PDE5A (0.49) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US disclosed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP disclosed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US 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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB PDE5A 3669/4885TSHR 3154/4885CA12 4121/4885

“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.