SCHEMBL11519682

SCHEMBL11519682

CCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.68
ADORA1 P30542 3/20 0.68
P2RY2 P41231 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
SRC P12931 2/20 0.68
DNPH1 O43598 1/20 0.68
PRKAB2 O43741 1/20 0.68
TRPM2 O94759 1/20 0.68
LDHA P00338 1/20 0.68
ADRB2 P07550 1/20 0.68
FBP1 P09467 1/20 0.68
PRKAG1 P54619 1/20 0.68
PRKAA2 P54646 1/20 0.68
PDE4D Q08499 1/20 0.68
KCNH2 Q12809 1/20 0.68
PRKAA1 Q13131 1/20 0.68
PDE3A Q14432 1/20 0.68
TAS1R3 Q7RTX0 1/20 0.68
TAS1R1 Q7RTX1 1/20 0.68
P2RY11 Q96G91 1/20 0.68

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
SCHEMBL30637132 1.00 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL10586180 1.00 P2RY1 (0.68) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL6536155 0.92 PRKACA (0.67) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL10586454 0.92 PRKACA (0.67) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL9295615 0.91 AHCY (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL9295626 0.91 AHCY (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL10585105 0.90 EHMT1 (0.69) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL11686718 0.90 AHCY (0.62) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL11242174 0.90 MARS1 (0.66) P2RY1ADORA1P2RY2SMN1; SMN2SRC
SCHEMBL219554 0.90 P2RY1 (0.71) P2RY1ADORA1P2RY2SMN1; SMN2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649222-B2 Compounds UNIVERSITETET I OSLO (NO) 2023-05-16 US disclosed
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 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-11649222-B2 Compounds SLC30A6, SLC39A11, SLC39A3 P2RY1 2310/4885ADORA1 2044/4885P2RY2 2872/4885

“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.