SCHEMBL30008197

SCHEMBL30008197

OC1O[C@H](Cn2ncc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NT5E P21589 15/20 0.56
ADORA3 P0DMS8 4/20 0.52
ADORA2A P29274 4/20 0.52
ADORA1 P30542 4/20 0.52
ADORA2B P29275 3/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL27195239 1.00 NT5E (0.56) NT5EADORA3ADORA2AADORA1ADORA2B
SCHEMBL30008377 0.84 NT5E (0.63) NT5E
SCHEMBL22282068 0.84 NT5E (0.78) NT5E
SCHEMBL27195234 0.84 NT5E (0.63) NT5E
SCHEMBL28595908 0.83 NT5E (0.77) NT5E
SCHEMBL24672315 0.82 NT5E (0.78) NT5E
SCHEMBL30008845 0.82 NT5E (0.78) NT5E
SCHEMBL30008091 0.82 ADORA3 (0.47) NT5EADORA3ADORA2AADORA1ADORA2B
SCHEMBL24672312 0.82 ADORA3 (0.47) NT5EADORA3ADORA2AADORA1ADORA2B
SCHEMBL28591762 0.81 ADORA3 (0.47) NT5EADORA3ADORA2AADORA1ADORA2B

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-20240368204-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-11-07 US disclosed
EP-4353732-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-04-17 EP 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 6/4885ADORA3 13/4885ADORA2A 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.