SCHEMBL22869289

SCHEMBL22869289

O=c1[nH]cc(-c2cc(C3CCC3)c(Cl)nn2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.49
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX5AP P20292 3/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ GRIA1 P42261 1/20 0.31
▸ CACNG8 Q8WXS5 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL22869288 0.97 NT5E (0.49) NT5EGAAALDH1A1GRIA1CACNG8
SCHEMBL22869349 0.95 NT5E (0.51) NT5EGAAALDH1A1GRIA1CACNG8
SCHEMBL24300477 0.85 NT5E (0.47) NT5EALDH1A1
SCHEMBL30409689 0.85 NT5E (0.47) NT5EALDH1A1
SCHEMBL22869290 0.84 NT5E (0.49) NT5EALDH1A1LMNA
SCHEMBL22869287 0.84 NT5E (0.49) NT5EALDH1A1
SCHEMBL22869323 0.81 NT5E (0.49) NT5EGAAALDH1A1ALOX5APFEN1
SCHEMBL22869356 0.81 NT5E (0.49) NT5EGAAALDH1A1ALOX5APFEN1
SCHEMBL30477945 0.81 NT5E (0.49) NT5EGAAALDH1A1ALOX5APFEN1
SCHEMBL22869280 0.81 NT5E (0.50) NT5EALDH1A1LMNAMAPT

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
EP-3759096-B1 CD73 INHIBITORS LILLY CO ELI (US) 2022-02-16 — — EP 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

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 2/4885GAA 1212/4885ALDH1A1 280/4885
US-20210002257-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 NT5E 2/4885GAA 1212/4885ALDH1A1 280/4885

“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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