SCHEMBL12960586

SCHEMBL12960586

Nc1nc(Cl)c2ncn([C@H]3CC[C@@H](CO)S3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9114712 0.88 AHCY (0.54) AHCYNT5EPDE4DNR1I2ALB
SCHEMBL9114703 0.88 AHCY (0.54) AHCYNT5EPDE4DNR1I2ALB
SCHEMBL9115366 0.83 PDE4D (0.54) PDE4DLMNATP53HSP90AA1PNP
SCHEMBL9115355 0.83 PDE4D (0.54) PDE4DLMNATP53HSP90AA1PNP
SCHEMBL9115181 0.81 FGFR1 (0.38) AHCYPDE4D
SCHEMBL9115171 0.81 FGFR1 (0.38) AHCYPDE4D
SCHEMBL8470470 0.79 NT5E (0.41) AHCYNT5EPDE4DNR1I2ALB
SCHEMBL9124912 0.79 ADORA3 (0.52) LMNAPNPSMN1; SMN2
SCHEMBL9035740 0.79 NT5E (0.41) AHCYNT5EPDE4DNR1I2ALB
SCHEMBL9124915 0.79 ADORA3 (0.52) LMNAPNPSMN1; SMN2

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-7875733-B2 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing ISIS PHARMACEUTICALS, INC. (US) 2011-01-25 — — US disclosed
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2010-12-23 — — 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-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION SNRPE, NSUN3, NSUN2 AHCY 1651/4885NT5E 1924/4885PDE4D 4336/4885

“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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