SCHEMBL23907411

SCHEMBL23907411

CP(=O)(O)OOC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.70
ADORA2A P29274 3/20 0.70
ADORA1 P30542 3/20 0.70
TSHR P16473 2/20 0.70
NFKB1 P19838 1/20 0.70
THPO P40225 1/20 0.70
DNPH1 O43598 2/20 0.67
NT5E P21589 2/20 0.63
P2RX3 P56373 2/20 0.62
P2RX2 Q9UBL9 2/20 0.62
DNMT1 P26358 1/20 0.60
DNMT3B Q9UBC3 1/20 0.60
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
TP53 P04637 1/20 0.58
SLC29A1 Q99808 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL23907437 0.88 P2RX3 (0.62) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL23907433 0.88 P2RX3 (0.61) ADORA1DNPH1NT5EP2RX3P2RX2
SCHEMBL20524223 0.87 NT5E (0.79) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL23907510 0.87 P2RX3 (0.64) ADORA3ADORA2AADORA1DNPH1NT5E
SCHEMBL23907460 0.87 DNPH1 (0.78) ADORA1TSHRNFKB1THPODNPH1
SCHEMBL23907414 0.86 DNPH1 (0.67) ADORA3ADORA2AADORA1DNPH1NT5E
SCHEMBL9605315 0.86 P2RX3 (0.84) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL13033868 0.86 P2RX3 (0.84) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL9607775 0.86 P2RX3 (0.84) ADORA3ADORA2AADORA1TSHRNFKB1
SCHEMBL23907385 0.85 ADORA3 (0.71) ADORA3ADORA2AADORA1DNPH1NT5E

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.