SCHEMBL12758337

SCHEMBL12758337

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.47
▸ PDE4D Q08499 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44
▸ ADA P00813 1/20 0.44
▸ P2RY2 P41231 1/20 0.41
▸ P2RY4 P51582 1/20 0.41
▸ PNP P00491 2/20 0.41
▸ ADORA3 P0DMS8 4/20 0.40
▸ ADORA2B P29275 2/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL12150844 1.00 ADORA2A (0.47) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL733124 1.00 ADORA2A (0.47) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL21008084 1.00 ADORA2A (0.47) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL12151845 1.00 ADORA2A (0.47) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL12150032 1.00 ADORA2A (0.47) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL6734193 1.00 ADORA2A (0.47) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL14440914 0.93 PNP (0.45) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL21007261 0.91 PDE4D (0.39) ADORA2APDE4DPDE3ASLC29A1ADA
SCHEMBL12220624 0.89 PDE4D (0.48) ADORA2APDE4DPDE3ASLC29A1PNP
SCHEMBL5907189 0.89 PDE4D (0.43) ADORA2APDE4DPDE3ASLC29A1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2023-03-02 — — US disclosed
US-11192914-B2 Alkyne containing nucleotide and nucleoside therapeutic compositions and uses related thereto EMORY UNIVERSITY (US) 2021-12-07 — — US disclosed
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2019-05-16 — — US disclosed
WO-2017189978-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2017-11-02 — — WO disclosed
US-7902202-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-03-08 — — US disclosed
US-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections IDENIX PHARMACEUTICALS, INC 2009-07-02 — — US disclosed
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. 2008-11-20 — — 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 (5 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-11192914-B2 Alkyne containing nucleotide and nucleoside therapeutic compositions and uses related thereto PNP, NTPCR, TYMP ADORA2A 76/4885PDE4D 1222/4885PDE3A 685/4885
US-20090169504-A1 Compounds and Pharmaceutical compositions for the treatment of Viral infections HAVCR2, PYGL, GYS2 ADORA2A 1132/4885PDE4D 2584/4885PDE3A 1772/4885
US-20080286230-A1 Compounds and pharmaceutical compositions for the treatment of viral infections HAVCR2, PYGL, GYS2 ADORA2A 1132/4885PDE4D 2584/4885PDE3A 1772/4885
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, PNP, NTPCR ADORA2A 83/4885PDE4D 2024/4885PDE3A 1350/4885
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, NTPCR, PNP ADORA2A 93/4885PDE4D 2079/4885PDE3A 1422/4885

“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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