SCHEMBL23907409

SCHEMBL23907409

CP(=O)(O)OOC[C@H]1O[C@@H](n2cnc3c(NCc4ccccn4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 2/20 0.64
NT5E P21589 3/20 0.61
P2RX3 P56373 3/20 0.59
P2RX2 Q9UBL9 3/20 0.59
ADORA3 P0DMS8 7/20 0.55
TP53 P04637 1/20 0.55
SLC29A1 Q99808 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
STAT6 P42226 1/20 0.54
GMNN O75496 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
P2RY12 Q9H244 1/20 0.54
P2RX4 Q99571 1/20 0.53
PAX8 Q06710 1/20 0.53

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
SCHEMBL23907467 0.87 DNPH1 (0.68) DNPH1NT5EP2RX3P2RX2ADORA3
SCHEMBL21839598 0.87 NT5E (0.79) DNPH1NT5EP2RX3P2RX2ADORA3
SCHEMBL23907385 0.86 ADORA3 (0.71) DNPH1NT5EP2RX3P2RX2ADORA3
SCHEMBL23907414 0.85 DNPH1 (0.67) DNPH1NT5EP2RX3P2RX2ADORA3
SCHEMBL23907411 0.85 ADORA3 (0.70) DNPH1NT5EP2RX3P2RX2ADORA3
SCHEMBL23907460 0.85 DNPH1 (0.78) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL23907437 0.84 P2RX3 (0.62) DNPH1NT5EP2RX3P2RX2ADORA3
SCHEMBL32661694 0.84 UBA6 (0.63) DNPH1NT5EP2RX3P2RX2ADORA3
SCHEMBL23907433 0.84 P2RX3 (0.61) DNPH1NT5EP2RX3P2RX2SLC29A1
SCHEMBL6765375 0.83 ADORA3 (0.77) ADORA3TP53SLC29A1TDP1ADORA2A

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 DNPH1 1090/4885NT5E 5/4885P2RX3 14/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E DNPH1 297/4885NT5E 3/4885P2RX3 37/4885

“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.