SCHEMBL21007261

SCHEMBL21007261

CC1(O)C(CO)[C@@H](CO)O[C@H]1n1ccc2c(=O)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ PNP P00491 2/20 0.38
▸ ADORA2A P29274 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ STING1 Q86WV6 1/20 0.36
▸ ADA P00813 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY4 P51582 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL12758337 0.91 ADORA2A (0.47) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL733124 0.91 ADORA2A (0.47) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL21008084 0.91 ADORA2A (0.47) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL6734193 0.91 ADORA2A (0.47) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL12150032 0.91 ADORA2A (0.47) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL12151845 0.91 ADORA2A (0.47) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL12150844 0.91 ADORA2A (0.47) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL14440914 0.88 PNP (0.45) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL5907189 0.86 PDE4D (0.43) PDE4DPDE3ASLC29A1PNPADORA2A
SCHEMBL21006002 0.85 PDE4D (0.36) PDE4DPDE3ASLC29A1PNPHPGD

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-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2019-05-16 — — 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-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, PNP, NTPCR PDE4D 2024/4885PDE3A 1350/4885SLC29A1 31/4885

“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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