SCHEMBL1963741

SCHEMBL1963741

COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCCCOC(C)=O)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 9/20 0.75
HSP90AB1 P08238 12/20 0.71
HSP90AA1 P07900 10/20 0.71
HSP90B1 P14625 3/20 0.61

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
SCHEMBL5043019 0.94 ERBB2 (0.73) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL5515306 0.88 ERBB2 (0.73) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL1962900 0.87 ERBB2 (0.94) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL1966494 0.87 ERBB2 (0.84) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL1966093 0.87 ERBB2 (0.84) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL1964645 0.86 ERBB2 (1.00) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL1966698 0.85 ERBB2 (0.81) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL1963758 0.83 HSP90AA1 (1.00) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL5523946 0.83 ERBB2 (0.81) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL27774755 0.83 ERBB2 (0.72) ERBB2HSP90AB1HSP90AA1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336133-A1 Purine analogs having HSP90-inhibiting activity Conforma Therapeutics Corporation (US) 2011-06-22 EP disclosed
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2008-05-29 US disclosed
US-7241890-B2 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-10 US 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
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-03-03 US disclosed
EP-1440072-A4 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTIC CORP (US) 2005-02-02 EP disclosed
EP-1440072-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY Conforma Therapeutic Corporation (US) 2004-07-28 EP disclosed
WO-2003037860-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTICS CORPORATION (US) 2003-05-08 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 (3 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-20080125446-A1 Purine analogs having HSP90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 ERBB2 3334/4885HSP90AB1 2/4885HSP90AA1 3/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P ERBB2 1609/4885HSP90AB1 1/4885HSP90AA1 2/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 ERBB2 3334/4885HSP90AB1 2/4885HSP90AA1 3/4885

“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.