SCHEMBL4416282

SCHEMBL4416282

COc1c(C)ncc(Cn2c(=O)n(CCn3cccc3)c3c(Cl)nc(N)nc32)c1C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 9/20 0.55
▸ HSP90AA1 P07900 18/20 0.54
▸ TRAP1 Q12931 2/20 0.38
▸ HSP90B1 P14625 1/20 0.38
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL5606058 0.85 HSP90AB1 (0.52) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL5606742 0.85 HSP90AB1 (0.52) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL4430117 0.83 HSP90AA1 (0.56) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL5606374 0.79 HSP90AA1 (0.55) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL14452428 0.79 HSP90AA1 (0.50) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL4566644 0.79 HSP90AA1 (0.55) HSP90AB1HSP90AA1TRAP1HSP90B1ADORA2A
SCHEMBL14366744 0.78 HSP90AA1 (0.53) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL4566497 0.77 HSP90AA1 (0.52) HSP90AB1HSP90AA1TRAP1HSP90B1ADORA2A
SCHEMBL5606076 0.77 HSP90AA1 (0.52) HSP90AB1HSP90AA1TRAP1HSP90B1
SCHEMBL14451854 0.76 HSP90AA1 (0.41) HSP90AB1HSP90AA1TRAP1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012791-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2009-01-14 — — EP disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 — — US disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 — — US disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 — — US disclosed
WO-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 — — WO disclosed
WO-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 — — WO 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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 HSP90AB1 3/4885HSP90AA1 4/4885TRAP1 14/4885

“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.

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