SCHEMBL1591804

SCHEMBL1591804

C[C@@]1(CO)[C@@H](CO)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.60
ADORA3 P0DMS8 8/20 0.59
PDE4D Q08499 2/20 0.59
PDE3A Q14432 2/20 0.59
PDE2A O00408 1/20 0.59
ADORA1 P30542 1/20 0.59
ADRA1A P35348 1/20 0.59
NT5E P21589 6/20 0.54
PNP P00491 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HSP90AA1 P07900 1/20 0.53
HSP90B1 P14625 1/20 0.53

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
SCHEMBL1591903 1.00 ADORA2A (0.60) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL12702741 1.00 ADORA2A (0.60) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL12702689 1.00 ADORA2A (0.60) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL12702703 1.00 ADORA2A (0.60) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL12702738 1.00 ADORA2A (0.60) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL19987331 0.90 ADORA3 (0.59) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL19974382 0.90 ADORA3 (0.59) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL19948532 0.88 ADORA2A (0.67) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL30262589 0.88 ADORA2A (0.67) ADORA2AADORA3PDE4DPDE3APDE2A
SCHEMBL1591764 0.85 NT5E (0.48) ADORA2AADORA3ADORA1NT5ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265626-B1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE LCB PHARMA INC (CA) 2019-05-15 EP disclosed
US-8846636-B2 Nucleoside analogues with quaternary carbon stereogenic centers and methods of use LCB PHARMA INC. (CA) 2014-09-30 US disclosed
US-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2011-04-21 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-20110092451-A1 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE NUDT1, NT5C3B, NTPCR ADORA2A 505/4885ADORA3 199/4885PDE4D 1339/4885

“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.