SCHEMBL19974427

SCHEMBL19974427

C[C@@]1(COCc2ccccc2)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.68
PDE2A O00408 6/20 0.58
ADORA2B P29275 2/20 0.51
NT5E P21589 5/20 0.51
PDE4D Q08499 2/20 0.50
PDE3A Q14432 2/20 0.50
PNP P00491 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ADORA3 P0DMS8 3/20 0.49
ADORA1 P30542 2/20 0.49
ADRA1A P35348 1/20 0.49
ADA P00813 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL19974448 0.88 ADORA2A (0.55) ADORA2APDE2AADORA2BNT5EPDE4D
SCHEMBL22700147 0.86 PDE2A (0.53) ADORA2APDE2ANT5EADORA3
SCHEMBL19974455 0.86 PDE2A (0.53) ADORA2APDE2ANT5EADORA3
Ammonia Solution, Strong SCHEMBL19974416 0.84 ADORA2A (0.79) ADORA2APDE2AADORA2BNT5EPDE4D
SCHEMBL29815502 0.84 ADORA2A (0.79) ADORA2APDE2AADORA2BNT5EPDE4D
SCHEMBL22700332 0.84 PDE2A (0.57) ADORA2APDE2AADORA2BNT5EPDE4D
SCHEMBL30262576 0.81 ADORA2A (1.00) ADORA2APDE2AADORA2BNT5EPDE4D
SCHEMBL28484259 0.81 ADORA2A (1.00) ADORA2APDE2AADORA2BNT5EPDE4D
SCHEMBL3437025 0.81 ADORA2A (1.00) ADORA2APDE2AADORA2BNT5EPDE4D
SCHEMBL19974417 0.81 PDE2A (0.51) ADORA2APDE2ANT5E

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 57/4885PDE2A 742/4885ADORA2B 66/4885

“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.