SCHEMBL22869345

SCHEMBL22869345

COc1ncc(-c2cc(C3CCC3)c(OC)nn2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 12/20 0.38
▸ FEN1 P39748 12/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ ACP1 P24666 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL30477942 1.00 ALOX5AP (0.38) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL29387879 0.96 QPCT (0.37) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL22869354 0.96 QPCT (0.37) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL22869347 0.95 QPCT (0.39) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL29386863 0.95 QPCT (0.39) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL22869370 0.89 MDM2 (0.36) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL29384847 0.89 MDM2 (0.36) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL22869358 0.86 HSD11B1 (0.36) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL29386867 0.86 HSD11B1 (0.36) ALOX5APFEN1QPCTQPCTLACP1
SCHEMBL22869318 0.85 QPCT (0.36) QPCTQPCTLACP1PPARDCYP1A2

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 ALOX5AP 1313/4885FEN1 231/4885QPCT 1701/4885
US-20210002257-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 ALOX5AP 1313/4885FEN1 231/4885QPCT 1701/4885

“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.

Send feedback