SCHEMBL13986122

SCHEMBL13986122

CNc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.66
PDE4B Q07343 10/20 0.66
PDE4C Q08493 10/20 0.66
PDE4D Q08499 10/20 0.66
PDE5A O76074 9/20 0.66
ADORA1 P30542 8/20 0.54
ADORA2A P29274 2/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
ADORA2B P29275 1/20 0.50

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
SCHEMBL13986185 0.86 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7436271 0.86 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9502308 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
Cipamfylline SCHEMBL26990 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7026234 0.79 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7809025 0.79 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7395750 0.78 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL13986119 0.78 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7027210 0.78 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7025747 0.77 ADORA1 (0.64) PDE4APDE4BPDE4CPDE4DPDE5A

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-7459479-B2 Benzylated PDE4 inhibitors BIOLIPOX AB (SE) 2008-12-02 US disclosed
US-20080287522-A1 reduced or no emetogenic effects ; benzylated phosphodiesterase 4 inhibitors; e.g. Rolipram, Ariflo, Arofylline; preparation by benzylation using benzyl bromide or a derivative; antiinflammatory agents; to treat autoimmune diseases; cystic fibrosis BIOLIPOX AB (SE) 2008-11-20 US disclosed
US-7446129-B2 Benzylated PDE4 inhibitors BIOLIPOX AB (DE) 2008-11-04 US disclosed
US-20070208181-A1 BENZYLATED PDE4 INHIBITORS INFLAZYME PHARMACEUTICALS LTD. (CA) 2007-09-06 US disclosed
EP-1813284-A1 PHARMACEUTICAL COMPOSITION KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-01 EP 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 (2 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-20080287522-A1 reduced or no emetogenic effects ; benzylated phosphodiesterase 4 inhibitors; e.g. Rolipram, Ariflo, Arofylline; preparation by benzylation using benzyl bromide or a derivative; antiinflammatory agents; to treat autoimmune diseases; cystic fibrosis PDE4B, PDE4A, PDE7A PDE4A 2/4885PDE4B 1/4885PDE4C 4/4885
US-20070208181-A1 BENZYLATED PDE4 INHIBITORS PDE4B, PDE4A, PDE3B PDE4A 2/4885PDE4B 1/4885PDE4C 4/4885

“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.