SCHEMBL11083282

SCHEMBL11083282

[O-][n+]1ncn2cnc3ccccc3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR3 P46089 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.32
USP5 P45974 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
NCF1 P14598 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9414988 0.75 KDM4E (0.37) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL11113843 0.68 KDM4E (0.41) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL4788149 0.63 KDM4E (0.46) KDM4EHPGDHSD17B10RAB9AGAA
SCHEMBL4792073 0.62 IDO1 (0.53) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL30494729 0.62 KDM4E (0.51) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL1370906 0.62 KDM4E (0.45) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL29485626 0.62 KDM4E (0.45) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL28182837 0.61 KDM4E (0.44) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL21541865 0.61 KDM4E (0.37) KDM4EHPGDHSD17B10GPR3RAB9A
SCHEMBL16181504 0.59 KDM4E (0.54) KDM4EHPGDHSD17B10RAB9ANPC1

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-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC 2012-12-06 US disclosed
US-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 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-20120309774-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA3, ADORA2B KDM4E 1669/4885HPGD 2320/4885HSD17B10 4345/4885

“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.