SCHEMBL23994632

SCHEMBL23994632

COc1ccc(C2CN(c3cc(-c4c[nH]c(=O)[nH]c4=O)nn4ccnc34)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADRA1A P35348 1/20 0.36
▸ NT5E P21589 5/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PDE9A O76083 3/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ MAPT P10636 2/20 0.32
▸ JAK2 O60674 1/20 0.32

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
SCHEMBL23993290 0.94 NR3C1 (0.40) ALDH1A1LMNAADRA1ANT5ENR3C1
SCHEMBL23994629 0.90 NT5E (0.39) NT5E
SCHEMBL23993672 0.89 ALDH1A1 (0.37) ALDH1A1ADRA1ANT5ENR3C1
SCHEMBL23994633 0.89 PDE9A (0.35) NT5EPDE9A
SCHEMBL23994995 0.88 NT5E (0.37) NT5EPDE9A
SCHEMBL23992812 0.88 SYK (0.37) NT5E
SCHEMBL23994432 0.87 NT5E (0.33) ALDH1A1LMNANT5EROCK2ROCK1
SCHEMBL23995022 0.86 SYK (0.35) NT5E
SCHEMBL25004354 0.86 FASN (0.34) NT5EJAK2
SCHEMBL25004418 0.84 NT5E (0.40) ALDH1A1NT5E

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
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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 (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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E ALDH1A1 347/4885LMNA 3592/4885ADRA1A 2855/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E ALDH1A1 138/4885LMNA 3739/4885ADRA1A 2354/4885

“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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