SCHEMBL3395542

SCHEMBL3395542

Cc1cc(Cn2cnc3c(Cl)nc(N)nc32)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.55
HSP90AB1 P08238 16/20 0.55
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC2 Q92769 1/20 0.49
HSP90B1 P14625 1/20 0.49
TRAP1 Q12931 1/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL3391520 0.87 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL6272417 0.78 ALDH1A1 (0.66) HSP90AA1HSP90AB1HDAC1HDAC6HDAC2
SCHEMBL3396283 0.74 HSP90AB1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3396237 0.73 HSP90AA1 (0.55) HSP90AA1HSP90AB1HDAC1HDAC6HDAC2
SCHEMBL3393881 0.72 HDAC1 (0.49) HSP90AA1HSP90AB1HDAC1HDAC6HDAC2
SCHEMBL1394283 0.71 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3269795 0.71 ADORA2A (0.64) HSP90AA1HSP90AB1HDAC1HDAC6HDAC2
SCHEMBL21977307 0.71 HDAC6 (0.69) HSP90AA1HSP90AB1HDAC1HDAC6HDAC2
SCHEMBL25547980 0.71 HDAC6 (0.69) HSP90AA1HSP90AB1HDAC1HDAC6HDAC2
SCHEMBL733525 0.70 PIK3CD (0.73) HSP90AA1HSP90AB1

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 HSP90AA1 3/4885HSP90AB1 2/4885HDAC1 1509/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885HDAC1 1509/4885

“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.