SCHEMBL25754156

SCHEMBL25754156

CSS[C@@H](C)C[C@@H]1C[C@H](n2ncc3c(=O)[nH]c(/N=C\N(C)C)nc32)O[C@@H]1CO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 5/20 0.33
▸ PDE1B Q01064 3/20 0.33
▸ PDE5A O76074 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 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
SCHEMBL24973049 1.00 PDE9A (0.33) PDE9APDE1BPDE5APDE4APDE4B
SCHEMBL24973041 0.86 KDM4E (0.32) PDE9APDE1BPDE5APDE4APDE4B
SCHEMBL25754152 0.86 KDM4E (0.32) PDE9APDE1BPDE5APDE4APDE4B
SCHEMBL24971055 0.86 KDM4E (0.32) PDE9APDE1BPDE5APDE4APDE4B
SCHEMBL25754146 0.86 KDM4E (0.32) PDE9APDE1BPDE5APDE4APDE4B
SCHEMBL14570609 0.83 TK1 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL25996112 0.83 TK1 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL24973038 0.73 PDE9A (0.31) PDE9A
SCHEMBL24973033 0.73 PDE9A (0.31) PDE9A
SCHEMBL25754147 0.73 PDE9A (0.31) PDE9A

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-20230203083-A1 NUCLEOTIDE ANALOGUES FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 — — 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-20230203083-A1 NUCLEOTIDE ANALOGUES ITPA, POLB, NUDT1 PDE9A 659/4885PDE1B 3649/4885PDE5A 1371/4885

“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.

Send feedback