SCHEMBL4239470

SCHEMBL4239470

C[C@@H]1O[C@@H](n2c(Br)nc3c(N)nc(OC4CCCC4)nc32)[C@@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
ADORA2B P29275 5/20 0.48
HSPA8 P11142 1/20 0.43
NADK O95544 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
HSPA5 P11021 1/20 0.35
ADK P55263 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
FBP1 P09467 1/20 0.35
ADORA1 P30542 1/20 0.35
RAPGEF3 O95398 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4239465 1.00 ADORA2A (0.48) ADORA2AADORA2BHSPA8NADKADORA3
SCHEMBL3880247 1.00 ADORA2A (0.48) ADORA2AADORA2BHSPA8NADKADORA3
SCHEMBL4031221 0.89 ADORA2A (0.50) ADORA2AADORA2BHSPA8ADORA3HSPA5
SCHEMBL13855562 0.88 ADORA2A (0.49) ADORA2AADORA2BHSPA8ADORA3HSPA5
SCHEMBL13855522 0.87 HSPA8 (0.60) ADORA2AADORA2BHSPA8ADORA3HSPA5
SCHEMBL13855561 0.82 HSPA8 (0.48) ADORA2AADORA2BHSPA8ADORA3HSPA5
SCHEMBL3879857 0.79 ADORA2A (0.75) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13855523 0.78 SLC28A2 (0.51) ADORA2AADORA2BHSPA8HSPA5FBP1
SCHEMBL3877828 0.77 SLC28A2 (0.55) ADORA2AADORA2BHSPA8HSPA5FBP1
SCHEMBL13855521 0.77 SLC28A2 (0.55) ADORA2AADORA2BHSPA8HSPA5FBP1

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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 37/4885ADORA2B 51/4885HSPA8 4053/4885

“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.