SCHEMBL4159587

SCHEMBL4159587

CCCCSc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.66
▸ PNP P00491 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ PDE3A Q14432 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ P2RX3 P56373 1/20 0.54
▸ ADORA2A P29274 1/20 0.53
▸ HIF1A Q16665 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.51

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
SCHEMBL4159592 1.00 ADORA3 (0.66) ADORA3PNPLMNATP53HTT
SCHEMBL5982340 0.86 PNP (0.72) ADORA3PNPLMNATP53HTT
SCHEMBL7742867 0.86 PNP (0.72) ADORA3PNPLMNATP53HTT
SCHEMBL5982348 0.86 PNP (0.72) ADORA3PNPLMNATP53HTT
SCHEMBL7742863 0.86 PNP (0.72) ADORA3PNPLMNATP53HTT
SCHEMBL28769810 0.83 ADORA3 (0.93) ADORA3P2RX3ADORA2ASLC29A1
SCHEMBL7111379 0.81 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL11949491 0.81 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL15459906 0.81 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL6848324 0.81 PNP (0.76) PNPLMNATP53HTTPDE4D

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA3 29/4885PNP 7/4885LMNA 2243/4885

“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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