SCHEMBL3396346

SCHEMBL3396346

Nc1nc(Cl)c2ncn(Cc3cc(Cl)cc(Cl)c3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.67
HSP90AA1 P07900 13/20 0.67
HDAC6 Q9UBN7 5/20 0.60
HDAC1 Q13547 5/20 0.60
HDAC4 P56524 2/20 0.60
HDAC2 Q92769 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
SCHEMBL21977307 0.87 HDAC6 (0.69) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL25547980 0.84 HDAC6 (0.69) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL6272417 0.84 ALDH1A1 (0.66) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL3395507 0.83 HSP90AB1 (0.74) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL3389693 0.82 HDAC6 (0.63) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL30532617 0.82 HDAC6 (0.66) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL21977403 0.82 HDAC6 (0.66) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL12857150 0.82 HDAC6 (0.70) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL3393012 0.81 HSP90AB1 (1.00) HSP90AB1HSP90AA1HDAC6HDAC1HDAC4
SCHEMBL3392839 0.81 HSP90AB1 (0.83) HSP90AB1HSP90AA1

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.