SCHEMBL5039628

SCHEMBL5039628

CC(C)(C)[Si](C)(C)OCn1c(I)nc2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.45
ADORA1 P30542 15/20 0.45
ADORA2B P29275 13/20 0.45
ADORA3 P0DMS8 8/20 0.45
HSP90AB1 P08238 2/20 0.39
ERBB2 P04626 1/20 0.39
FBP1 P09467 1/20 0.38
PI4KA P42356 2/20 0.38
PI4K2B Q8TCG2 2/20 0.38
PI4K2A Q9BTU6 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
TMIGD3 P0DMS9 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL987114 0.75 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL21170805 0.68 PI4KA (0.51) ADORA2AADORA1HSP90AB1ERBB2PI4KA
SCHEMBL21877976 0.67 FBP1 (0.54) ADORA2AADORA1ADORA2BADORA3HSP90AB1
SCHEMBL982883 0.66 HSPA5 (0.40) ADORA2AADORA1ADORA2BADORA3HSP90AB1
SCHEMBL5039630 0.65 ADORA2A (0.38) ADORA2AADORA1ADORA2BADORA3HSP90AB1
SCHEMBL14175361 0.64 ADORA2A (0.59) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5083011 0.64 PI4KA (0.55) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL1096911 0.63 AMD1 (0.49)
SCHEMBL1755068 0.62 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3PI4KA
SCHEMBL15689328 0.62 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3FBP1

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
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 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-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P ADORA2A 116/4885ADORA1 198/4885ADORA2B 340/4885

“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.