SCHEMBL8065352

SCHEMBL8065352

[2H]C([2H])(CC)c1nn(C)c(C(N)=O)c1NC(=O)c1cc(S(=O)(=O)NCCC2CCCN2C)ccc1OCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.52
TERT O14746 2/20 0.41
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PLK1 P53350 1/20 0.35
CCNA1 P78396 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
PLK2 Q9NYY3 1/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
CA2 P00918 2/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
CA9 Q16790 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35

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
SCHEMBL8055635 0.98 PDE5A (0.51) PDE5ATERTCCNA2CDK2PLK1
SCHEMBL4741016 0.93 PDE5A (0.58) PDE5ATERTDRD2DRD3CA2
SCHEMBL8055436 0.92 PDE5A (0.56) PDE5ATERTDRD2DRD3CA2
SCHEMBL1706222 0.82 TERT (0.49) PDE5ATERTDRD2DRD3CA2
SCHEMBL8056309 0.82 TERT (0.50) PDE5ATERTLMNAMAPTMAPK1
SCHEMBL8066739 0.80 TERT (0.45) TERTLMNAMAPTMAPK1RAB9A
SCHEMBL14107016 0.79 PDE5A (0.57) PDE5ADRD2DRD3CA2DRD1
SCHEMBL6801848 0.76 TERT (0.37) PDE5ATERTDRD2DRD3CA2
SCHEMBL13662766 0.76 PDE5A (0.42) PDE5ATERTDRD2DRD3CA2
SCHEMBL4900976 0.76 TERT (0.50) PDE5ATERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 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-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A PDE5A 1/4885TERT 3651/4885CCNA2 4289/4885

“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.