SCHEMBL13337452

SCHEMBL13337452

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)O)C2OC3(CCCCC3)OC21)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.56
ADORA2B P29275 5/20 0.56
P2RY12 Q9H244 2/20 0.51
ADORA3 P0DMS8 4/20 0.45
ADORA1 P30542 4/20 0.45
HSP90AA1 P07900 1/20 0.43
HSP90B1 P14625 1/20 0.43
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13309358 1.00 ADORA2A (0.56) ADORA2AADORA2BP2RY12ADORA3ADORA1
SCHEMBL13309393 1.00 ADORA2A (0.56) ADORA2AADORA2BP2RY12ADORA3ADORA1
SCHEMBL13309392 0.93 P2RY12 (0.49) ADORA2AADORA2BP2RY12ADORA3ADORA1
SCHEMBL13337667 0.90 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1PMP22
SCHEMBL13309292 0.90 ADORA2A (0.69) ADORA2AADORA2BADORA3ADORA1PMP22
SCHEMBL13309374 0.90 P2RY12 (0.53) ADORA2AADORA2BP2RY12ADORA3ADORA1
SCHEMBL13337718 0.90 P2RY12 (0.53) ADORA2AADORA2BP2RY12ADORA3ADORA1
SCHEMBL13309362 0.89 ADORA2B (0.49) ADORA2AADORA2BP2RY12ADORA3ADORA1
SCHEMBL13337751 0.89 ADORA2B (0.59) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13337752 0.89 ADORA2B (0.49) ADORA2AADORA2BP2RY12ADORA3ADORA1

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 42/4885P2RY12 19/4885

“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.