SCHEMBL780585

SCHEMBL780585

COC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C(O)C1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.66
ADORA1 P30542 4/20 0.61
P2RY1 P47900 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
P2RY2 P41231 3/20 0.56
SRC P12931 2/20 0.56
DNPH1 O43598 1/20 0.56
PRKAB2 O43741 1/20 0.56
TRPM2 O94759 1/20 0.56
LDHA P00338 1/20 0.56
ADRB2 P07550 1/20 0.56
FBP1 P09467 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PDE3A Q14432 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56

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
SCHEMBL41365 1.00 ADORA3 (0.66) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL4425850 0.90 ADORA3 (0.56) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL7197169 0.87 TYMP (0.68) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL15245129 0.87 ADORA3 (0.65) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL41361 0.87 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL15788449 0.87 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL15338536 0.87 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL384075 0.87 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL15926827 0.87 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL6560740 0.87 TYMP (0.68) ADORA3ADORA1P2RY1SMN1; SMN2P2RY2

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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 ADORA3 174/4885ADORA1 189/4885P2RY1 57/4885

“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.