SCHEMBL26972743

SCHEMBL26972743

CCC1(C)OC(C)(n2cnc3c(N)ncnc32)C(C)(O)C1(C)O

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.71
TAS1R1 Q7RTX1 2/20 0.71
PI4KA P42356 5/20 0.48
PI4K2B Q8TCG2 5/20 0.48
PI4K2A Q9BTU6 5/20 0.48
PI4KB Q9UBF8 5/20 0.48
ADORA2A P29274 10/20 0.45
ADORA1 P30542 6/20 0.45
GMPS P49915 1/20 0.43
ADORA2B P29275 2/20 0.43
ADORA3 P0DMS8 2/20 0.41
SLC28A1 O00337 1/20 0.41
AHCY P23526 1/20 0.40

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
SCHEMBL26972744 0.87 TAS1R3 (0.59) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL26972747 0.86 TAS1R3 (0.58) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL20277482 0.83 TAS1R3 (1.00) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL20673335 0.83 TAS1R3 (0.81) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL24059938 0.83 TAS1R3 (1.00) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL10294620 0.79 TAS1R3 (0.74) TAS1R3TAS1R1
SCHEMBL21031870 0.78 TAS1R3 (0.59) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL14162591 0.77 TAS1R3 (0.55) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL226040 0.71 ADORA2A (0.56) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A
SCHEMBL8087444 0.70 GMPS (0.53) TAS1R3TAS1R1PI4KAPI4K2BPI4K2A

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-11857561-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) INVIRSA, INC. (US) 2024-01-02 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-11857561-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) ADAR, CD38, PARP1 TAS1R3 2968/4885TAS1R1 3331/4885PI4KA 2469/4885

“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.