SCHEMBL20739879

SCHEMBL20739879

O=c1[nH]c2c(n(CC3CC3)c1=O)COCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.44
PDE1A P54750 5/20 0.44
PDE1B Q01064 5/20 0.44
PDE1C Q14123 4/20 0.44
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE5A O76074 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK10 P53779 1/20 0.31

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
SCHEMBL20723433 0.89 PDE4D (0.44) PDE4DPDE1APDE1BPDE1CALDH1A1
SCHEMBL20739922 0.83 PDE1A (0.46) PDE4DPDE1APDE1BPDE1CALDH1A1
SCHEMBL19206537 0.79 ALDH1A1 (0.49) PDE4DPDE1APDE1BPDE1CALDH1A1
SCHEMBL20739951 0.78 ALDH1A1 (0.51) PDE4DPDE1APDE1BPDE1CALDH1A1
SCHEMBL20739881 0.76 PDE4D (0.43) PDE4DPDE1APDE1BPDE1CALDH1A1
SCHEMBL20723855 0.69 PDE4D (0.45) PDE4DPDE1APDE1BPDE1CPDE5A
SCHEMBL20723851 0.67 PDE4D (0.43) PDE4DPDE1APDE1BPDE1CPDE5A
SCHEMBL20739929 0.67 PDE4D (0.45) PDE4DPDE1APDE1BPDE1CALDH1A1
SCHEMBL30394930 0.66 PDE1A (0.57) PDE4DPDE1APDE1BPDE1C
SCHEMBL20739950 0.65 PDE4D (0.43) PDE4DPDE1APDE1BPDE1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914273-B [1,2,4] triazolo derivatives as PDE1 inhibitors for the treatment of diabetes 伊莱利利公司 2023-05-16 CN disclosed
US-11401274-B2 [1,2,4]Triazolo derivatives as PDE1 inhibitors for the treatment of diabetes ELI LILLY AND COMPANY (US) 2022-08-02 US disclosed
EP-3665174-B1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES LILLY CO ELI (US) 2021-09-15 EP disclosed
EP-3665174-B1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES LILLY CO ELI (US) 2021-09-15 EP disclosed
US-20210147437-A1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY 2021-05-20 US disclosed
US-20210147437-A1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY 2021-05-20 US disclosed
CN-110914273-A [1,2,4] triazolo derivatives as PDE1 inhibitors for the treatment of diabetes 伊莱利利公司 2020-03-24 CN disclosed
WO-2019032383-A1 [1,2,4] TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY (US) 2019-02-14 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 (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-20210147437-A1 [1,2,4]TRIAZOLO DERIVATIVES AS PDE1 INHIBITORS FOR THE TREATMENT OF DIABETES PDE3B, PDE3A, PDE5A PDE4D 9/4885PDE1A 22/4885PDE1B 16/4885
US-11401274-B2 [1,2,4]Triazolo derivatives as PDE1 inhibitors for the treatment of diabetes PDE3B, PDE3A, PDE5A PDE4D 9/4885PDE1A 22/4885PDE1B 16/4885

“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.