SCHEMBL3391877

SCHEMBL3391877

COc1cc(CN2C(=O)Cc3c(Cl)nc(N)nc32)cc(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.69
HSP90B1 P14625 7/20 0.69
HSP90AA1 P07900 6/20 0.69
HSP90AB1 P08238 1/20 0.51

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
SCHEMBL1059521 0.86 HSP90AA1 (0.71) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL3396057 0.84 HSP90AA1 (0.71) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL1059052 0.79 HSP90AA1 (0.59) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL27641134 0.77 HSP90AA1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL1052264 0.77 TRAP1 (0.73) TRAP1HSP90B1HSP90AA1
SCHEMBL1052242 0.76 HSP90AA1 (0.62) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL14506443 0.75 HSP90AA1 (0.51) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL1054540 0.75 TRAP1 (0.57) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL14453511 0.74 HSP90AA1 (0.56) TRAP1HSP90B1HSP90AA1HSP90AB1
SCHEMBL13539638 0.74 HSP90AA1 (0.56) TRAP1HSP90B1HSP90AA1HSP90AB1

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 9 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
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors 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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 TRAP1 11/4885HSP90B1 4/4885HSP90AA1 3/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 TRAP1 11/4885HSP90B1 4/4885HSP90AA1 3/4885

“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.