SCHEMBL3396801

SCHEMBL3396801

COc1cc(F)c(Cn2cnc3c(Cl)nc(N)nc32)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 17/20 0.71
HSP90AA1 P07900 16/20 0.71
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HSP90B1 P14625 1/20 0.54
TRAP1 Q12931 1/20 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
SCHEMBL3396202 0.88 HSP90AB1 (0.73) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3396492 0.87 HSP90AB1 (0.76) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3392699 0.86 HSP90AB1 (0.74) HSP90AB1HSP90AA1HDAC6HSP90B1TRAP1
SCHEMBL14568059 0.85 HSP90AB1 (0.80) HSP90AB1HSP90AA1HDAC6HSP90B1TRAP1
SCHEMBL3396053 0.83 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3391543 0.82 HSP90AB1 (0.66) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL3393681 0.82 HSP90AB1 (1.00) HSP90AB1HSP90AA1HDAC6HSP90B1TRAP1
SCHEMBL3392226 0.81 HSP90AB1 (0.77) HSP90AB1HSP90AA1HDAC6HDAC3HDAC4
SCHEMBL3391783 0.81 HDAC6 (0.58) HSP90AB1HSP90AA1HDAC6HDAC3HDAC4
SCHEMBL14568058 0.81 HSP90AB1 (0.84) HSP90AB1HSP90AA1HSP90B1TRAP1

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-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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 (2 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885HDAC6 541/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885HDAC6 541/4885

“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.