SCHEMBL25005491

SCHEMBL25005491

FC(F)(F)Cn1nc(C2CC2)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
GRM4 Q14833 3/20 0.34
CNR1 P21554 3/20 0.33
HTR3A P46098 1/20 0.32
CYP11B2 P19099 1/20 0.32
KHK P50053 1/20 0.31
IDO1 P14902 1/20 0.30
EPHX2 P34913 1/20 0.30
PDGFRA P16234 1/20 0.30
CDK5 Q00535 1/20 0.30
TYRO3 Q06418 1/20 0.30
METAP2 P50579 1/20 0.30
BACE1 P56817 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
MAPT P10636 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
SCHEMBL30224827 1.00 ESR1 (0.40) ESR1SLC22A12GRM4CNR1HTR3A
SCHEMBL22152002 0.82 SLC22A12 (0.38) SLC22A12GRM4CNR1CYP11B2PDGFRA
SCHEMBL21491067 0.80 GRM2 (0.36) SLC22A12GRM4CNR1IDO1
SCHEMBL30224924 0.79 ESR1 (0.45) ESR1PDGFRACDK5TYRO3KDM4C
SCHEMBL23993249 0.79 ESR1 (0.45) ESR1PDGFRACDK5TYRO3KDM4C
SCHEMBL23994535 0.77 ESR1 (0.44) ESR1CYP11B2PDGFRACDK5TYRO3
SCHEMBL31636216 0.77 PDGFRA (0.48) ESR1PDGFRACDK5TYRO3KDM4C
SCHEMBL23993327 0.77 ESR1 (0.44) ESR1SLC22A12PDGFRACDK5TYRO3
SCHEMBL30224393 0.77 ESR1 (0.44) ESR1CYP11B2PDGFRACDK5TYRO3
SCHEMBL30224397 0.77 ESR1 (0.44) ESR1CYP11B2PDGFRACDK5TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 US disclosed
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 CN 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 ESR1 1651/4885SLC22A12 1740/4885GRM4 2641/4885

“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.