SCHEMBL5132501

SCHEMBL5132501

COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 1.00
HSP90AB1 P08238 9/20 0.79
HSP90AA1 P07900 11/20 0.76
HSP90B1 P14625 5/20 0.68
TRAP1 Q12931 2/20 0.68

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
SCHEMBL5519071 0.95 ERBB2 (0.90) ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5038386 0.93 ERBB2 (1.00) ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5045264 0.93 ERBB2 (1.00) ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5038388 0.93 ERBB2 (1.00) ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5133436 0.92 ERBB2 (0.85) ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5038478 0.92 ERBB2 (1.00) ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5133783 0.91 ERBB2 (0.90) ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL5131339 0.90 ERBB2 (0.82) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL5045791 0.89 ERBB2 (0.82) ERBB2HSP90AB1HSP90AA1HSP90B1
SCHEMBL5133798 0.88 ERBB2 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US claimed
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 1609/4885HSP90AB1 1/4885HSP90AA1 2/4885

“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.