SCHEMBL23915313

SCHEMBL23915313

CCOP(=O)(COC[C@H]1O[C@@H](n2cnc3c(-c4ccccc4)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 12/20 0.53
P2RX1 P51575 1/20 0.51
P2RX3 P56373 1/20 0.51
P2RX4 Q99571 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
P2RY12 Q9H244 2/20 0.42

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
SCHEMBL21882985 1.00 DNPH1 (0.53) DNPH1P2RX1P2RX3P2RX4RXFP1
SCHEMBL21882958 0.86 P2RX3 (0.54) DNPH1P2RX1P2RX3P2RX4RXFP1
SCHEMBL30394191 0.86 P2RX3 (0.54) DNPH1P2RX1P2RX3P2RX4RXFP1
SCHEMBL23915001 0.86 P2RX3 (0.54) DNPH1P2RX1P2RX3P2RX4RXFP1
SCHEMBL30394237 0.85 DNPH1 (0.73) DNPH1
SCHEMBL21882959 0.84 NT5E (0.52) P2RX1P2RX3P2RX4RXFP1PI4KA
SCHEMBL23915675 0.84 NT5E (0.52) P2RX1P2RX3P2RX4RXFP1PI4KA
SCHEMBL30395399 0.84 NT5E (0.52) P2RX1P2RX3P2RX4RXFP1PI4KA
SCHEMBL21883338 0.83 P2RX3 (0.51) DNPH1P2RX1P2RX3P2RX4RXFP1
SCHEMBL30394247 0.83 P2RX3 (0.51) DNPH1P2RX1P2RX3P2RX4RXFP1

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 1090/4885P2RX1 20/4885P2RX3 14/4885
US-20210317150-A1 CD73 INHIBITORS AND USES THEREOF ENTPD5, ENTPD1, NT5E DNPH1 297/4885P2RX1 39/4885P2RX3 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.