SCHEMBL19974564

SCHEMBL19974564

COc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)CO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.58
ADORA3 P0DMS8 7/20 0.52
ADORA1 P30542 7/20 0.52
ADORA2B P29275 5/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
PDE4D Q08499 2/20 0.43
PDE3A Q14432 2/20 0.43
PNP P00491 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE2A O00408 1/20 0.42
ADRA1A P35348 1/20 0.42
ADA P00813 1/20 0.41

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
SCHEMBL6838477 0.89 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL29815502 0.85 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2BALOX15
Ammonia Solution, Strong SCHEMBL19974416 0.85 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL19974575 0.85 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL19979046 0.81 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL22683313 0.78 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BALOX15
SCHEMBL21511191 0.78 ADORA3 (0.43) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL19974374 0.78 ADORA3 (0.43) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL19987356 0.78 ADORA3 (0.43) ADORA2AADORA3ADORA1ADORA2BLMNA
SCHEMBL19974375 0.78 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BALOX15

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 57/4885ADORA3 68/4885ADORA1 114/4885

“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.