SCHEMBL23994416

SCHEMBL23994416

O=c1[nH]cc(-c2cc(OCCC(F)(F)F)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.37
▸ NT5E P21589 8/20 0.34
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MOGAT2 Q3SYC2 1/20 0.30
▸ TRPM5 Q9NZQ8 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
SCHEMBL23993096 0.91 HCRTR2 (0.35) HCRTR2NT5EALDH1A1
SCHEMBL23993135 0.87 NT5E (0.36) HCRTR2NT5EALDH1A1
SCHEMBL23993087 0.87 NT5E (0.34) HCRTR2NT5EALDH1A1
SCHEMBL23993132 0.85 NT5E (0.35) HCRTR2NT5E
SCHEMBL23993100 0.85 NT5E (0.35) HCRTR2NT5EALDH1A1
SCHEMBL23995044 0.85 HCRTR2 (0.35) HCRTR2NT5E
SCHEMBL23995402 0.84 NT5E (0.35) HCRTR2NT5EALDH1A1
SCHEMBL23994764 0.84 HCRTR2 (0.35) HCRTR2NT5EALDH1A1
SCHEMBL23995100 0.83 NT5E (0.38) HCRTR2NT5EALDH1A1
SCHEMBL23995278 0.83 NT5E (0.35) HCRTR2NT5E

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 HCRTR2 4277/4885NT5E 3/4885PDE3B 262/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E HCRTR2 4289/4885NT5E 3/4885PDE3B 212/4885

“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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