SCHEMBL5035160

SCHEMBL5035160

COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCOC(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 10/20 0.75
HSP90AA1 P07900 11/20 0.75
HSP90AB1 P08238 11/20 0.72
HSP90B1 P14625 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
SCHEMBL5045792 0.88 ERBB2 (0.78) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL5035204 0.87 ERBB2 (0.77) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL5039827 0.87 ERBB2 (0.78) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL5038522 0.86 ERBB2 (0.72) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL5519071 0.86 ERBB2 (0.90) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL5039130 0.86 ERBB2 (0.81) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL1963694 0.86 ERBB2 (0.81) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL5150302 0.86 ERBB2 (0.81) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL5038923 0.86 ERBB2 (1.00) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL4131794 0.85 HSP90AA1 (1.00) ERBB2HSP90AA1HSP90AB1

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 7 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 claimed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO claimed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US claimed
CN-101505762-A Orally active purinyl inhibitors of heat shock protein 90 CONFORMA THERAPEUTICS CORP (US) 2009-08-12 CN disclosed
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 ERBB2 1609/4885HSP90AA1 2/4885HSP90AB1 1/4885

“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.