SCHEMBL19536251

SCHEMBL19536251

CC1(O)[C@@H](O)[C@@H](CO)O[C@H]1n1ccc2cnc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.53
▸ ADA P00813 1/20 0.48
▸ ADORA3 P0DMS8 9/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ ADORA1 P30542 6/20 0.42
▸ ADORA2B P29275 4/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP2C19 P33261 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY4 P51582 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19536253 1.00 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL731577 1.00 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL21007072 0.87 ADORA2A (0.40) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL5844191 0.86 ADORA2A (0.58) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL5008515 0.84 SLC29A1 (0.43) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL4551409 0.83 ADORA2A (0.54) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL5083241 0.83 ADORA2A (0.54) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL12154572 0.82 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL12150880 0.82 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL12031227 0.82 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 76/4885ADA 5/4885ADORA3 69/4885
US-20190144484-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, PNP, NTPCR ADORA2A 83/4885ADA 10/4885ADORA3 80/4885
US-20230062181-A1 ALKYNE CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO TYMP, NTPCR, PNP ADORA2A 93/4885ADA 11/4885ADORA3 82/4885

“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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