SCHEMBL6314596

SCHEMBL6314596

N=C(N)c1ncn([C@@H]2O[C@H](C(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.51
ATIC P31939 2/20 0.51
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
P2RY2 P41231 2/20 0.38
DNPH1 O43598 1/20 0.38
PRKAB2 O43741 1/20 0.38
TRPM2 O94759 1/20 0.38
LDHA P00338 1/20 0.38
ADRB2 P07550 1/20 0.38
SRC P12931 1/20 0.38
ADORA1 P30542 1/20 0.38
P2RY1 P47900 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38
PRKAA1 Q13131 1/20 0.38

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
SCHEMBL4307801 0.82 KDM4E (0.56) FBP1ATICTDP1KDM4ETP53
SCHEMBL4954130 0.81 ATIC (0.48) FBP1ATICTDP1KDM4ETP53
SCHEMBL756245 0.78 P2RY2 (0.64) FBP1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL800310 0.78 KDM4E (0.47) FBP1ATICTDP1KDM4ETP53
SCHEMBL11977315 0.77 ATIC (0.82) FBP1ATICTDP1KDM4ETP53
SCHEMBL11130784 0.77 SMN1; SMN2 (0.51) FBP1P2RY2DNPH1PRKAB2TRPM2
Water SCHEMBL443839 0.77 P2RY2 (0.63) FBP1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL11527541 0.77 NT5E (0.59) FBP1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL5989372 0.77 NT5E (0.45) FBP1P2RY2DNPH1PRKAB2TRPM2
SCHEMBL11134118 0.76 CA5A (0.43) FBP1P2RY2DNPH1PRKAB2TRPM2

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-8420049-B2 Labeled adenosine for use in positron emission tomography Abraham, Edward H. (US) 2013-04-16 US disclosed
US-20050244331-A1 Labeled adenosine for use in positron emission tomography ABRAHAM EDWARD H 2005-11-03 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-20050244331-A1 Labeled adenosine for use in positron emission tomography ADA, ADORA2A, SLC35B2 FBP1 750/4885ATIC 128/4885TDP1 702/4885

“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.