SCHEMBL22569958

SCHEMBL22569958

OC[C@H]1O[C@@H](c2cnc3c(NC4CCCC4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.51
▸ PMP22 Q01453 2/20 0.51
▸ ADORA2A P29274 2/20 0.51
▸ SLC29A1 Q99808 2/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ THPO P40225 1/20 0.50

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
SCHEMBL29396675 1.00 TSHR (0.51) TSHRPMP22ADORA2ASLC29A1ADORA3
SCHEMBL22579704 1.00 TSHR (0.51) TSHRPMP22ADORA2ASLC29A1ADORA3
SCHEMBL23042793 0.83 NT5E (0.54) ADORA3ADORA1
SCHEMBL23042887 0.83 NT5E (0.54) ADORA3ADORA1
SCHEMBL22579623 0.83 ADORA3 (0.53) TSHRPMP22ADORA2ASLC29A1ADORA3
SCHEMBL22579613 0.83 ADORA3 (0.53) TSHRPMP22ADORA2ASLC29A1ADORA3
SCHEMBL22569904 0.83 ADORA3 (0.53) TSHRPMP22ADORA2ASLC29A1ADORA3
SCHEMBL23042814 0.83 NT5E (0.53) ADORA3ADORA1
SCHEMBL22579641 0.82 ADORA2A (0.44) TSHRPMP22ADORA2ASLC29A1ADORA3
SCHEMBL23042832 0.82 NT5E (0.42) ADORA2AADORA3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094317-B Phosphonic acid derivative with CD73 inhibitory activity, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-31 — — CN disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — 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 (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-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 TSHR 1674/4885PMP22 708/4885ADORA2A 21/4885

“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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