SCHEMBL19974418

SCHEMBL19974418

CCOP(=O)(OCC)OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@](C)(CO)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.57
P2RY1 P47900 6/20 0.51
P2RY11 Q96G91 4/20 0.51
NT5E P21589 6/20 0.51
ADORA3 P0DMS8 4/20 0.51
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
PNP P00491 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL19979029 1.00 ADORA2A (0.57) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL19975000 0.92 ADORA2A (0.58) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL19974575 0.89 ADORA2A (0.43) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL19974435 0.88 ADORA2A (0.49) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL19974568 0.87 ADORA2A (0.55) ADORA2AP2RY1P2RY11NT5EPDE4D
SCHEMBL22700147 0.87 PDE2A (0.53) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL19974455 0.87 PDE2A (0.53) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL19979035 0.86 ADORA2A (0.58) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL22700178 0.84 NT5E (0.50) ADORA2AP2RY1P2RY11NT5EADORA3
SCHEMBL22700214 0.84 HPGD (0.49) ADORA2ANT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434255-B2 Nucleoside and nucleotide analogues bearing a quaternary all-carbon stereogenic center at the 2′ position and methods of use as a cardioprotective agent LCB PHARMA INC. (CA) 2022-09-06 US disclosed
EP-3512860-B1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC (CA) 2020-11-25 EP disclosed
EP-3512860-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB Pharma Inc. (CA) 2019-07-24 EP disclosed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 WO 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-11434255-B2 Nucleoside and nucleotide analogues bearing a quaternary all-carbon stereogenic center at the 2′ position and methods of use as a cardioprotective agent TNNT2, NT5C2, PNP ADORA2A 57/4885P2RY1 146/4885P2RY11 137/4885

“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.