SCHEMBL2566599

SCHEMBL2566599

COc1cc(-c2nc(SC)nc3c2c(C#N)cn3COCC[Si](C)(C)C)c(Cl)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
HSP90AB1 P08238 15/20 0.43
HSP90AA1 P07900 5/20 0.39
BRD4 O60885 1/20 0.33

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
SCHEMBL2568420 0.96 HSP90AB1 (0.47) KCNH2HSP90AB1HSP90AA1BRD4
SCHEMBL2565058 0.95 HSP90AB1 (0.46) KCNH2HSP90AB1HSP90AA1
SCHEMBL2562416 0.90 HSP90AB1 (0.46) KCNH2HSP90AB1HSP90AA1BRD4
SCHEMBL3955703 0.88 HSP90AB1 (0.45) KCNH2HSP90AB1HSP90AA1BRD4
SCHEMBL4064357 0.88 HSP90AB1 (0.48) KCNH2HSP90AB1HSP90AA1
SCHEMBL13798712 0.87 KCNH2 (0.62) KCNH2HSP90AB1HSP90AA1BRD4
SCHEMBL3956211 0.86 HSP90AB1 (0.47) KCNH2HSP90AB1HSP90AA1
SCHEMBL2565406 0.85 HSP90AB1 (0.36) KCNH2HSP90AB1HSP90AA1
SCHEMBL13798710 0.84 HSP90AB1 (0.65) KCNH2HSP90AB1HSP90AA1
SCHEMBL2569133 0.82 HSP90AB1 (0.46) KCNH2HSP90AB1HSP90AA1BRD4

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-2007767-B1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS R&D LTD (GB) 2011-11-02 EP disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US disclosed
WO-2009030871-A1 PYRROLOPYRIMIDINE DERIVATIVES HAVING HSP90 INHIBITORY ACTIVITY VERNALIS R & D LTD (GB) 2009-03-12 WO disclosed
EP-2007767-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R&D) LTD (GB) 2008-12-31 EP disclosed
WO-2007104944-A1 PYRROLOPYRIMIDINE DERIVATIVES USED AS HSP90 INHIBITORS VERNALIS (R & D) LTD. (GB) 2007-09-20 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 (1 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-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors HSP90AA1, HSP90AB1, RAF1 KCNH2 2202/4885HSP90AB1 2/4885HSP90AA1 1/4885

“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.