SCHEMBL2568458

SCHEMBL2568458

CCN(CC)CCSc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(C#N)c[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 1.00
HSP90AB1 P08238 16/20 0.92
HSP90AA1 P07900 6/20 0.63

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
SCHEMBL2565891 0.96 HSP90AB1 (1.00) KCNH2HSP90AB1HSP90AA1
SCHEMBL2559397 0.95 KCNH2 (1.00) KCNH2HSP90AB1HSP90AA1
SCHEMBL12161202 0.92 HSP90AB1 (0.87) KCNH2HSP90AB1HSP90AA1
SCHEMBL12161013 0.87 KCNH2 (0.77) KCNH2HSP90AB1HSP90AA1
SCHEMBL4121271 0.84 HSP90AB1 (0.74) KCNH2HSP90AB1HSP90AA1
SCHEMBL2563070 0.83 HSP90AB1 (1.00) KCNH2HSP90AB1HSP90AA1
SCHEMBL2568418 0.83 HSP90AB1 (0.75) KCNH2HSP90AB1HSP90AA1
SCHEMBL2566608 0.82 HSP90AB1 (1.00) KCNH2HSP90AB1HSP90AA1
SCHEMBL2563125 0.80 HSP90AB1 (0.72) KCNH2HSP90AB1HSP90AA1
SCHEMBL2562465 0.80 HSP90AB1 (1.00) KCNH2HSP90AB1HSP90AA1

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 7 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
US-20090163490-A1 Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors VERNALIS (R&D) LTD. (GB) 2009-06-25 US 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
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.