SCHEMBL23907453

SCHEMBL23907453

CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.60
ADORA2A P29274 2/20 0.60
ADORA1 P30542 2/20 0.60
NT5E P21589 16/20 0.58
GPR17 Q13304 1/20 0.54

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
SCHEMBL23915855 0.90 NT5E (0.63) ADORA3ADORA2AADORA1NT5E
SCHEMBL20524264 0.90 NT5E (0.63) ADORA3ADORA2AADORA1NT5E
SCHEMBL23907447 0.89 ADORA3 (0.58) ADORA3ADORA2AADORA1NT5E
SCHEMBL23907488 0.88 ADORA3 (0.57) ADORA3ADORA2AADORA1NT5E
SCHEMBL20524207 0.87 NT5E (0.76) ADORA3ADORA2AADORA1NT5E
SCHEMBL23907525 0.87 NT5E (0.56) ADORA3ADORA2AADORA1NT5E
SCHEMBL21839881 0.86 NT5E (0.62) ADORA3ADORA2AADORA1NT5E
SCHEMBL30394583 0.86 NT5E (0.62) ADORA3ADORA2AADORA1NT5E
SCHEMBL30394399 0.86 NT5E (0.60) ADORA3ADORA2AADORA1NT5E
SCHEMBL23907449 0.86 ADORA1 (0.79) ADORA3ADORA2AADORA1NT5EGPR17

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-11591355-B2 CD73 inhibitors and uses thereof PELOTON THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2021-10-14 US 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 (2 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-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 ADORA3 9/4885ADORA2A 8/4885ADORA1 16/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E ADORA3 29/4885ADORA2A 11/4885ADORA1 34/4885

“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.