SCHEMBL21046396

SCHEMBL21046396

OC[C@H]1O[C@@H](c2ccc3c(NCc4ccccc4)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.52
▸ SLC29A1 Q99808 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SIGMAR1 Q99720 2/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ METTL3 Q86U44 1/20 0.44
▸ METTL14 Q9HCE5 1/20 0.44
▸ SLC28A2 O43868 1/20 0.43
▸ HSPA8 P11142 1/20 0.43
▸ ADK P55263 1/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42

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
SCHEMBL19859374 1.00 ADORA3 (0.52) ADORA3SLC29A1TP53TDP1SIGMAR1
SCHEMBL15607018 0.88 ADORA3 (0.56) ADORA3METTL3METTL14ADORA2AADORA1
SCHEMBL23959991 0.85 ADK (0.39) ADORA3SLC29A1TP53TDP1ADK
SCHEMBL14942978 0.84 ADK (0.42) ADORA3SLC29A1ADKADORA2AADORA1
SCHEMBL22569890 0.82 NT5E (0.59) —
SCHEMBL16708473 0.82 TMPRSS2 (0.49) ADORA3TDP1ADKADORA2AADORA1
SCHEMBL24982409 0.78 HIF1A (0.46) ADORA3SLC29A1SLC28A2HSPA8ADK
SCHEMBL13531981 0.78 PYGL (0.39) —
SCHEMBL24982322 0.78 HIF1A (0.46) ADORA3SLC29A1SLC28A2HSPA8ADK
SCHEMBL25008855 0.78 HIF1A (0.46) ADORA3SLC29A1SLC28A2HSPA8ADK

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-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
CN-114286824-A CD73 inhibitor 博奥阿迪斯生物科技公司 2022-04-05 — — CN disclosed
EP-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 — — EP disclosed
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
WO-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
US-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — 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 (2 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA3 90/4885SLC29A1 9/4885TP53 2040/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 ADORA3 48/4885SLC29A1 101/4885TP53 1464/4885

“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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