SCHEMBL13337667

SCHEMBL13337667

O=C(O)[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)C2OC3(CCCCC3)OC21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.69
ADORA2B P29275 4/20 0.69
TSHR P16473 3/20 0.53
PMP22 Q01453 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
ADORA3 P0DMS8 2/20 0.52
ADORA1 P30542 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC29A1 Q99808 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
HIF1A Q16665 1/20 0.52

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
SCHEMBL13309292 1.00 ADORA2A (0.69) ADORA2AADORA2BTSHRPMP22SMN1; SMN2
SCHEMBL6573057 0.91 ADORA2A (0.69) ADORA2AADORA2BTSHRPMP22SMN1; SMN2
SCHEMBL13337452 0.90 ADORA2A (0.56) ADORA2AADORA2BPMP22SMN1; SMN2TDP1
SCHEMBL13309358 0.90 ADORA2A (0.56) ADORA2AADORA2BPMP22SMN1; SMN2TDP1
SCHEMBL13309393 0.90 ADORA2A (0.56) ADORA2AADORA2BPMP22SMN1; SMN2TDP1
SCHEMBL13309324 0.89 ADORA2A (0.64) ADORA2AADORA2BTSHRPMP22SMN1; SMN2
SCHEMBL13337719 0.89 ADORA2A (0.64) ADORA2AADORA2BTSHRPMP22SMN1; SMN2
SCHEMBL13337623 0.88 ADORA2A (0.72) ADORA2AADORA2BTSHRPMP22SMN1; SMN2
SCHEMBL13309344 0.88 ADORA2A (0.72) ADORA2AADORA2BTSHRPMP22SMN1; SMN2
SCHEMBL13309343 0.88 ADORA2A (0.60) ADORA2AADORA2BTSHRPMP22SMN1; SMN2

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-20100160250-A1 METHOD FOR TREATING INFLAMMATORY CONDITIONS INSPIRE PHARMACEUTICALS, INC. 2010-06-24 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-20100160250-A1 METHOD FOR TREATING INFLAMMATORY CONDITIONS P2RX1, P2RX7, P2RX2 ADORA2A 28/4885ADORA2B 42/4885TSHR 1825/4885

“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.