SCHEMBL30007983

SCHEMBL30007983

C#C[C@]1(CO)O[C@@H](n2ncc3c(N[C@@H](C)c4ccccc4F)cc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NT5E P21589 9/20 0.56
TNF P01375 10/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL27206949 1.00 NT5E (0.56) NT5ETNFADORA2AADORA2B
SCHEMBL24672299 1.00 NT5E (0.56) NT5ETNFADORA2AADORA2B
SCHEMBL27206601 0.87 NT5E (0.60) NT5E
SCHEMBL24672853 0.87 NT5E (0.60) NT5E
SCHEMBL30008083 0.86 NT5E (0.70) NT5E
SCHEMBL30008278 0.86 NT5E (0.48) NT5E
SCHEMBL27206790 0.86 NT5E (0.48) NT5E
SCHEMBL27195219 0.86 NT5E (0.48) NT5E
SCHEMBL24672309 0.81 NT5E (0.73) NT5EADORA2AADORA2B
SCHEMBL22104978 0.81 NT5E (0.73) NT5EADORA2AADORA2B

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
US-20240368204-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-11-07 US disclosed
CN-117642411-A Small molecule CD73 antagonists and uses thereof 西藏海思科制药有限公司 2024-03-01 CN disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 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-20240368204-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF ENTPD5, ENTPD1, ENTPD2 NT5E 6/4885TNF 3018/4885ADORA2A 9/4885

“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.