SCHEMBL3396057

SCHEMBL3396057

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

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 16/20 0.71
▸ TRAP1 Q12931 9/20 0.71
▸ HSP90B1 P14625 7/20 0.71
▸ HSP90AB1 P08238 11/20 0.56

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 0.90 HSP90AA1 (0.71) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL3391877 0.84 TRAP1 (0.69) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL27641242 0.79 HSP90AA1 (0.53) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL3396339 0.79 HSP90AA1 (0.55) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL13539449 0.78 HSP90AA1 (0.56) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1059052 0.75 HSP90AA1 (0.59) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL13539627 0.72 HSP90AA1 (0.53) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL1052242 0.72 HSP90AA1 (0.62) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL3396299 0.72 HSP90AB1 (1.00) HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL4268613 0.71 HSP90AA1 (0.64) HSP90AA1TRAP1HSP90B1HSP90AB1

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 HSP90AA1 3/4885TRAP1 11/4885HSP90B1 4/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885TRAP1 11/4885HSP90B1 4/4885

“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.

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