SCHEMBL23994941

SCHEMBL23994941

Cn1ccc(-c2cc(-c3c[nH]c(=O)[nH]c3=O)nn3ccnc23)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM5B Q9UGL1 2/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM4B O94953 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ JMJD6 Q6NYC1 2/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 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
SCHEMBL23994426 0.81 ALDH1A1 (0.37) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL23995495 0.80 NT5E (0.37) NT5EALDH1A1CCNE1CDK2LMNA
Hydrochloric Acid SCHEMBL28947617 0.80 ALDH1A1 (0.36) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL23995402 0.79 NT5E (0.35) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL23992789 0.78 NT5E (0.42) NT5EALDH1A1CCNE1CDK2
SCHEMBL25004690 0.77 NT5E (0.47) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL23994549 0.77 NT5E (0.40) NT5EALDH1A1CCNE1CDK2LMNA
SCHEMBL24514876 0.76 NT5E (0.43) NT5EALDH1A1CCNE1CDK2
SCHEMBL29614274 0.76 CCNE1 (0.52) NT5EALDH1A1CCNE1CDK2
SCHEMBL23993245 0.76 PRKCI (0.50) NT5EALDH1A1ROCK1CCNE1CDK2

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 NT5E 3/4885ALDH1A1 347/4885KDM5B 857/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E NT5E 3/4885ALDH1A1 138/4885KDM5B 866/4885

“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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