SCHEMBL1069795

SCHEMBL1069795

COc1ccc(C(OC[C@@H]2C[C@@H](O)[C@H](n3cnc4c(NC(=O)COc5ccccc5)ncnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.49
ADORA3 P0DMS8 10/20 0.49
ADORA1 P30542 9/20 0.49
TYMP P19971 2/20 0.49
ADORA2A P29274 1/20 0.45

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
SCHEMBL3796393 1.00 ADORA2B (0.49) ADORA2BADORA3ADORA1TYMPADORA2A
SCHEMBL13057654 0.91 TYMP (0.51) ADORA2BADORA3ADORA1TYMPADORA2A
SCHEMBL18496453 0.91 TYMP (0.51) ADORA2BADORA3ADORA1TYMPADORA2A
SCHEMBL3796369 0.89 ADORA2B (0.44) ADORA2BADORA3ADORA1TYMPADORA2A
SCHEMBL19666774 0.88 TYMP (0.56) ADORA2BADORA3ADORA1TYMP
SCHEMBL29397739 0.88 TYMP (0.65) ADORA2BADORA3ADORA1TYMP
SCHEMBL13020571 0.86 ADORA2B (0.42) ADORA2BADORA3ADORA1TYMPADORA2A
SCHEMBL1068389 0.83 TYMP (0.55) ADORA1TYMP
SCHEMBL1068391 0.83 TYMP (0.55) ADORA1TYMP
SCHEMBL23953082 0.83 P2RY1 (0.46) ADORA2BADORA3ADORA1TYMP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011005595-A2 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 WO disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 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-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 ADORA2B 1054/4885ADORA3 1626/4885ADORA1 2126/4885

“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.