SCHEMBL260646

SCHEMBL260646

CC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/c4cc(C)cn4C)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.53
ADORA1 P30542 11/20 0.49
ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL280472 0.90 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL260726 0.87 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL260637 0.86 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL260517 0.85 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL260724 0.83 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL260739 0.82 ADORA2A (0.54) ADORA2AADORA1ADORA3
SCHEMBL260708 0.80 ADORA2A (0.57) ADORA2AADORA1ADORA3
SCHEMBL260402 0.79 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL260719 0.79 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL260398 0.79 ADORA2A (0.66) ADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133880-B2 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-03-13 US disclosed
US-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-03-10 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-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF PNP, NUDT1, HPRT1 ADORA2A 4/4885ADORA1 22/4885ADORA3 26/4885

“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.