SCHEMBL13456537

SCHEMBL13456537

CNC(=O)[C@@]12COC(C1O)[C@H](n1cnc3c(NCc4cccc(I)c4)ncnc31)O2

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.75
▸ ADORA2A P29274 7/20 0.64
▸ ADORA1 P30542 6/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ PMP22 Q01453 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.64
▸ HTR2C P28335 1/20 0.64
▸ ADORA2B P29275 1/20 0.64
▸ HTR2B P41595 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL13429434 1.00 ADORA3 (0.75) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL13429447 0.93 ADORA3 (0.71) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL13429449 0.92 ADORA3 (0.76) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL13456514 0.91 ADORA3 (0.62) ADORA3ADORA2AADORA1ADORA2BHTR2B
SCHEMBL13429432 0.91 ADORA3 (0.62) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL13429437 0.91 ADORA3 (0.62) ADORA3ADORA2AADORA1ADORA2BHTR2B
SCHEMBL13456535 0.91 ADORA3 (0.62) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL13429433 0.90 ADORA3 (0.66) ADORA3ADORA2AADORA1MAPK1CYP1A2
SCHEMBL13456640 0.89 ADORA3 (0.67) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL13429451 0.86 ADORA3 (1.00) ADORA3ADORA2AADORA1CYP3A4MAPK1

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-20100062994-A1 Adenosine Receptor Antagonists SANTARIS PHARMA A/S (DK) 2010-03-11 — — 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-20100062994-A1 Adenosine Receptor Antagonists ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885

“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.

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