SCHEMBL23907433

SCHEMBL23907433

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.61
P2RX2 Q9UBL9 3/20 0.61
DNPH1 O43598 3/20 0.57
SLC29A1 Q99808 1/20 0.55
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
NT5E P21589 2/20 0.55
P2RY1 P47900 4/20 0.54
P2RY2 P41231 3/20 0.54
SRC P12931 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ADORA1 P30542 2/20 0.54
PRKAB2 O43741 1/20 0.54
TRPM2 O94759 1/20 0.54
LDHA P00338 1/20 0.54
ADRB2 P07550 1/20 0.54
FBP1 P09467 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PDE4D Q08499 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
SCHEMBL23907437 0.92 P2RX3 (0.62) P2RX3P2RX2DNPH1SLC29A1TAS1R3
SCHEMBL23907510 0.91 P2RX3 (0.64) P2RX3P2RX2DNPH1SLC29A1TAS1R3
SCHEMBL23907411 0.88 ADORA3 (0.70) P2RX3P2RX2DNPH1SLC29A1NT5E
SCHEMBL4820592 0.88 DNPH1 (0.73) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL30394543 0.86 RNASEL (0.61) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL21839823 0.86 RNASEL (0.61) P2RX3P2RX2DNPH1TAS1R3TAS1R1
SCHEMBL23907435 0.85 TAS1R3 (0.72) SLC29A1TAS1R3TAS1R1SMN1; SMN2ADORA1
SCHEMBL23907467 0.85 DNPH1 (0.68) P2RX3P2RX2DNPH1SLC29A1NT5E
SCHEMBL23907421 0.84 TAS1R3 (0.75) SLC29A1TAS1R3TAS1R1SMN1; SMN2ADORA1
SCHEMBL23907403 0.84 TAS1R3 (0.78) SLC29A1TAS1R3TAS1R1SMN1; SMN2ADORA1

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 P2RX3 14/4885P2RX2 17/4885DNPH1 1090/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E P2RX3 37/4885P2RX2 35/4885DNPH1 297/4885

“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.