SCHEMBL23993471

SCHEMBL23993471

COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(OCC(F)F)cc3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.34
▸ MDM2 Q00987 14/20 0.33
▸ PDE10A Q9Y233 2/20 0.32
▸ TP53 P04637 5/20 0.31
▸ MTOR P42345 2/20 0.31
▸ SYK P43405 1/20 0.30
▸ MDM4 O15151 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ HCK P08631 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ EPHB4 P54760 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ PI4KB Q9UBF8 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
SCHEMBL23993474 1.00 PPARD (0.34) PPARDMDM2PDE10ATP53MTOR
SCHEMBL23994523 0.92 PDE10A (0.37) PPARDPDE10A
SCHEMBL23994526 0.92 PDE10A (0.37) PPARDPDE10A
SCHEMBL23993442 0.91 MDM2 (0.33) PPARDMDM2PDE10ATP53MTOR
SCHEMBL23993440 0.91 MDM2 (0.33) PPARDMDM2PDE10ATP53MTOR
SCHEMBL23994491 0.89 MDM2 (0.34) PPARDMDM2TP53MTORSYK
SCHEMBL30182093 0.89 MDM2 (0.34) PPARDMDM2TP53MTORSYK
SCHEMBL23993464 0.88 PPARD (0.36) PPARDMDM2PDE10AMTORSYK
SCHEMBL23993467 0.88 PPARD (0.36) PPARDMDM2PDE10AMTORSYK
SCHEMBL30224836 0.88 PPARD (0.36) PPARDMDM2PDE10AMTORSYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PPARD 2945/4885MDM2 2083/4885PDE10A 484/4885

“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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