SCHEMBL5827474

SCHEMBL5827474

CCCOc1ccccc1-c1nc2c([nH]1)c1nncn1c(=O)n2CCOC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
GLA P06280 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADORA1 P30542 1/20 0.50
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44

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
SCHEMBL5827731 0.94 PDE5A (0.58) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5827476 0.92 PDE5A (0.57) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5827797 0.91 PDE5A (0.56) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5827312 0.91 PDE5A (0.57) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5827855 0.89 PDE5A (0.59) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5828418 0.87 PDE5A (0.71) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5827290 0.87 ADORA1 (0.58) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5828267 0.86 PDE5A (0.58) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5827679 0.85 KDM4E (0.56) PDE5AKDM4EALDH1A1HSD17B10GLA
SCHEMBL5827920 0.85 PDE5A (0.51) PDE5AKDM4EALDH1A1HSD17B10GLA

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 3669/4885KDM4E 4355/4885ALDH1A1 1064/4885

“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.