SCHEMBL21882959

SCHEMBL21882959

CCOP(=O)(COCC1O[C@@H](n2cnc3c(NC(C)c4ccccc4)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NT5E P21589 6/20 0.52
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
P2RY12 Q9H244 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL30395399 1.00 NT5E (0.52) NT5EP2RX1P2RX3P2RX4PRKAG1
SCHEMBL23915675 1.00 NT5E (0.52) NT5EP2RX1P2RX3P2RX4PRKAG1
SCHEMBL23915562 0.93 NT5E (0.54) NT5EP2RX1P2RX3P2RX4PRKAG1
SCHEMBL23915676 0.93 NT5E (0.54) NT5EP2RX1P2RX3P2RX4PRKAG1
SCHEMBL20524262 0.91 NT5E (0.63) NT5EP2RX1P2RX3P2RX4PRKAG1
SCHEMBL23915071 0.90 NT5E (0.65) NT5EADORA1
SCHEMBL30394224 0.90 NT5E (0.65) NT5EADORA1
SCHEMBL30394785 0.90 NT5E (0.65) NT5EADORA1
SCHEMBL21883336 0.88 NT5E (0.54) NT5EADORA3ADORA2AADORA2BADORA1
SCHEMBL21882985 0.84 DNPH1 (0.53) P2RX1P2RX3P2RX4P2RY12RXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 NT5E 3/4885P2RX1 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.