SCHEMBL15975533

SCHEMBL15975533

[N-]=[N+]=N[C@@H]1C[C@H](n2cnc3c(NC4CC4)nc(N)nc32)O[C@@H]1CO

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.55
▸ ALB P02768 1/20 0.55
▸ PDE4D Q08499 1/20 0.55

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
SCHEMBL15496606 1.00 NR1I2 (0.55) NR1I2ALBPDE4D
SCHEMBL15975550 0.86 PGK1 (0.53) PDE4D
SCHEMBL15975256 0.86 PGK1 (0.53) PDE4D
SCHEMBL15499076 0.86 LMNA (0.55) ALBPDE4D
SCHEMBL15496601 0.86 LMNA (0.55) ALBPDE4D
SCHEMBL15975549 0.85 ADORA3 (0.44) ALBPDE4D
SCHEMBL15496605 0.85 PGK1 (0.45) ALBPDE4D
SCHEMBL15975543 0.85 PGK1 (0.45) ALBPDE4D
SCHEMBL15975265 0.85 ADORA3 (0.44) ALBPDE4D
SCHEMBL15975264 0.85 ADORA3 (0.44) ALBPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815829-B2 3′-azido purine nucleotide prodrugs for treatment of viral infections RFS PHARMA, LLC (US) 2014-08-26 — — US disclosed
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 — — 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-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP NR1I2 660/4885ALB 1912/4885PDE4D 690/4885

“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.

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