SCHEMBL23993286

SCHEMBL23993286

O=c1[nH]cc(-c2cc(N3CCC(F)(F)C3)c3ncc(F)n3n2)c(=O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ F2RL1 P55085 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ NT5E P21589 7/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ SMPD3 Q9NY59 1/20 0.30
▸ QPCT Q16769 2/20 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
SCHEMBL23993071 0.88 NT5E (0.33) NT5E
SCHEMBL23994859 0.86 NT5E (0.32) NT5E
SCHEMBL23994567 0.86 MAPT (0.44) NT5EMAPTKDM4C
SCHEMBL28947404 0.85 NT5E (0.32) NT5E
SCHEMBL23995011 0.84 NT5E (0.36) NT5E
SCHEMBL23993665 0.82 NT5E (0.36) JAK2PDE3BPDE3AF2RL1LRRK2
SCHEMBL23993340 0.82 NT5E (0.38) NT5E
SCHEMBL23994621 0.82 NT5E (0.38) NT5E
SCHEMBL23993714 0.82 NT5E (0.32) NT5E
SCHEMBL27084166 0.82 NT5E (0.38) NT5E

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 JAK2 1484/4885PDE3B 262/4885PDE3A 376/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E JAK2 1668/4885PDE3B 212/4885PDE3A 328/4885

“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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