SCHEMBL21883338

SCHEMBL21883338

CCOP(=O)(COC[C@H]1O[C@@H](n2cnc3c(OC(C)C)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.51
P2RX1 P51575 3/20 0.51
P2RX4 Q99571 3/20 0.51
RXFP1 Q9HBX9 1/20 0.49
PI4KA P42356 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
AMD1 P17707 2/20 0.40
GAA P10253 1/20 0.39
P2RX2 Q9UBL9 1/20 0.38
RNASEL Q05823 3/20 0.37
P2RY12 Q9H244 1/20 0.37
NT5E P21589 1/20 0.36
DNPH1 O43598 2/20 0.36
PRKAB2 O43741 1/20 0.36
TRPM2 O94759 1/20 0.36
LDHA P00338 1/20 0.36
ADRB2 P07550 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL30394247 1.00 P2RX3 (0.51) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL20524225 0.89 P2RX3 (0.55) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL21882958 0.87 P2RX3 (0.54) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL23915001 0.87 P2RX3 (0.54) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL30394191 0.87 P2RX3 (0.54) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL21882985 0.83 DNPH1 (0.53) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL23915313 0.83 DNPH1 (0.53) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL23915675 0.82 NT5E (0.52) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL21882959 0.82 NT5E (0.52) P2RX3P2RX1P2RX4RXFP1PI4KA
SCHEMBL30395399 0.82 NT5E (0.52) P2RX3P2RX1P2RX4RXFP1PI4KA

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 3 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
US-20200115404-A1 CD73 INHIBITORS AND USES THEREOF PELOTON THERAPEUTICS INC. 2020-04-16 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 (3 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-20200115404-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E P2RX3 37/4885P2RX1 39/4885P2RX4 72/4885
US-11591355-B2 CD73 inhibitors and uses thereof ENTPD5, ENTPD1, ENTPD3 P2RX3 14/4885P2RX1 20/4885P2RX4 33/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E P2RX3 37/4885P2RX1 39/4885P2RX4 72/4885

“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.