SCHEMBL13625718

SCHEMBL13625718

COC(=O)c1ccc(OC(=O)N2CCC(Cc3nc(N)c4ncn(CO[C@H](CO)C(O)CO)c4n3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ ADORA2A P29274 1/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.32
▸ LIPE Q05469 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ VCP P55072 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30

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
SCHEMBL13625722 0.90 ADORA2A (0.34) KMT2AMEN1TLR8TLR7ADORA2A
SCHEMBL13625863 0.84 ADORA3 (0.36) KMT2AMEN1ADORA2AALDH1A1SMN1; SMN2
SCHEMBL13625768 0.83 ADORA3 (0.32) KMT2AMEN1LIPEALDH1A1SMN1; SMN2
SCHEMBL13625725 0.83 ADORA2A (0.32) ADORA2ALIPE
SCHEMBL13625683 0.81 ADORA3 (0.34) ADORA2A
SCHEMBL13626076 0.81 ADORA3 (0.34) KMT2AMEN1ADORA2ALIPE
SCHEMBL13625864 0.81 ADORA2A (0.33) KMT2AMEN1ADORA2ALIPELMNA
SCHEMBL13625945 0.80 MGLL (0.33) ADORA2ALIPE
SCHEMBL14393604 0.80 MGLL (0.33) ADORA2ALIPE
SCHEMBL13625767 0.79 CYP1A2 (0.36) ADORA2A

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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 — — 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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 KMT2A 1796/4885MEN1 3512/4885TLR8 1407/4885

“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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