SCHEMBL22869323

SCHEMBL22869323

COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 9/20 0.49
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX5AP P20292 3/20 0.38
▸ FEN1 P39748 3/20 0.38
▸ GAA P10253 1/20 0.35
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ JAK3 P52333 2/20 0.31

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
SCHEMBL30477945 1.00 NT5E (0.49) NT5EALDH1A1LMNAALOX5APFEN1
SCHEMBL29387020 0.96 NT5E (0.48) NT5EALDH1A1LMNAALOX5APFEN1
SCHEMBL22869266 0.96 NT5E (0.48) NT5EALDH1A1LMNAALOX5APFEN1
SCHEMBL22869324 0.95 NT5E (0.51) NT5EALDH1A1LMNAALOX5APFEN1
SCHEMBL24300480 0.86 NT5E (0.47) NT5EALDH1A1LMNAPDCD1CD274
SCHEMBL22869320 0.86 NT5E (0.47) NT5EALDH1A1LMNAPDCD1CD274
SCHEMBL29385112 0.86 NT5E (0.47) NT5EALDH1A1LMNAPDCD1CD274
SCHEMBL22869321 0.85 NT5E (0.49) NT5EALDH1A1LMNAPDCD1CD274
SCHEMBL29384831 0.85 NT5E (0.49) NT5EALDH1A1LMNAPDCD1CD274
SCHEMBL22869322 0.84 NT5E (0.46) NT5EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819173-B CD73 inhibitors 伊莱利利公司 2023-06-06 — — CN disclosed
EP-3759096-B1 CD73 INHIBITORS LILLY CO ELI (US) 2022-02-16 — — EP disclosed
US-11028074-B2 CD73 inhibitors ELI LILLY AND COMPANY (US) 2021-06-08 — — US disclosed
US-20210002257-A1 CD73 INHIBITORS ELI LILLY AND COMPANY 2021-01-07 — — US disclosed
CN-111819173-A CD73 inhibitor 伊莱利利公司 2020-10-23 — — CN 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-11028074-B2 CD73 inhibitors ENTPD5, NT5E, ENTPD1 NT5E 2/4885ALDH1A1 280/4885LMNA 3762/4885
US-20210002257-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 NT5E 2/4885ALDH1A1 280/4885LMNA 3762/4885

“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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