SCHEMBL23993484

SCHEMBL23993484

FC(F)(F)Cn1ccc2cnc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.36
HTR7 P34969 1/20 0.33
CYP17A1 P05093 3/20 0.30
CYP1A2 P05177 1/20 0.30
ASH1L Q9NR48 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
SCHEMBL22153077 0.80 MAP3K5 (0.42) MAP3K5HTR7
SCHEMBL21052271 0.78 CDK4 (0.35) HTR7
SCHEMBL22410742 0.76 PIK3CB (0.33)
SCHEMBL29746322 0.76 PIK3CB (0.33)
SCHEMBL21052356 0.74 JAK1 (0.42) MAP3K5
SCHEMBL25004500 0.74 PDE10A (0.38) MAP3K5
SCHEMBL18366276 0.73 CYP17A1 (0.34) CYP17A1CYP1A2
SCHEMBL15742496 0.73 EGFR (0.40) CYP17A1CYP1A2
SCHEMBL21052463 0.73 HTR6 (0.50)
SCHEMBL30692815 0.73 HTR6 (0.50)

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
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
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 MAP3K5 3994/4885HTR7 2203/4885CYP17A1 4392/4885

“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.