SCHEMBL260398

SCHEMBL260398

CC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NN)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.66
ADORA2B P29275 6/20 0.66
ADORA3 P0DMS8 7/20 0.61
HSP90B1 P14625 2/20 0.60
ADORA1 P30542 4/20 0.58
NT5E P21589 1/20 0.56
AHCY P23526 2/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
HSP90AA1 P07900 1/20 0.56

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
SCHEMBL260708 0.89 ADORA2A (0.57) ADORA2AADORA2BADORA3HSP90B1ADORA1
SCHEMBL12935945 0.86 HSP90B1 (0.81) ADORA2AADORA2BADORA3HSP90B1ADORA1
SCHEMBL13913202 0.86 ADORA3 (0.61) ADORA2AADORA2BADORA3HSP90B1ADORA1
SCHEMBL260414 0.86 ADORA3 (0.65) ADORA2AADORA2BADORA3HSP90B1ADORA1
SCHEMBL12964118 0.85 ADORA2A (0.64) ADORA2AADORA2BADORA3HSP90B1ADORA1
SCHEMBL18172261 0.84 ADORA3 (0.72) ADORA2AADORA2BADORA3NT5EBLM
SCHEMBL260417 0.83 ADORA2A (0.59) ADORA2AADORA2BADORA3HSP90B1ADORA1
SCHEMBL260517 0.81 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL10001407 0.81 AHCY (0.80) ADORA2AADORA2BADORA3HSP90B1ADORA1
SCHEMBL19843951 0.81 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1NT5E

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 4/4885ADORA2B 33/4885ADORA3 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.