SCHEMBL5131899

SCHEMBL5131899

Nc1ncnc2c1nc(Sc1ccc3c(c1)OCO3)n2CCCO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.59
HSP90AB1 P08238 14/20 0.59
ERBB2 P04626 3/20 0.57
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
HSP90B1 P14625 5/20 0.54
TRAP1 Q12931 4/20 0.54

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
SCHEMBL5132561 0.94 HSP90AA1 (0.54) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL3465421 0.90 HSP90AA1 (0.66) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL5142341 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL3124067 0.88 HSP90AA1 (0.54) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL3124508 0.87 HSP90AB1 (0.57) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL5130186 0.86 HSP90AB1 (0.56) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL3119599 0.85 HSP90AB1 (0.55) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL15980449 0.85 HSP90AA1 (0.74) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4
SCHEMBL3122628 0.85 HSP90AB1 (0.61) HSP90AA1HSP90AB1ERBB2HSP90B1TRAP1
SCHEMBL5133685 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1ERBB2HDAC3HDAC4

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
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
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-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US 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 HSP90AA1 2/4885HSP90AB1 1/4885ERBB2 1609/4885

“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.