SCHEMBL4124013

SCHEMBL4124013

COc1cc(Cl)c(-c2nc(OCCN3CCCC(F)C3)nc3[nH]cc(C#N)c23)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.74
KCNH2 Q12809 5/20 0.56
HSP90AA1 P07900 3/20 0.49
SRC P12931 2/20 0.38

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
SCHEMBL4124014 1.00 HSP90AB1 (0.74) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL13798715 0.96 HSP90AB1 (0.69) HSP90AB1KCNH2HSP90AA1
SCHEMBL12160981 0.96 HSP90AB1 (0.80) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL12161026 0.96 HSP90AB1 (0.80) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL13798717 0.91 HSP90AB1 (0.72) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL2568985 0.87 HSP90AB1 (0.57) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL2568988 0.87 HSP90AB1 (0.57) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL2564918 0.85 HSP90AB1 (0.73) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL12161181 0.85 HSP90AB1 (1.00) HSP90AB1KCNH2HSP90AA1SRC
SCHEMBL12161050 0.85 HSP90AB1 (1.00) HSP90AB1KCNH2HSP90AA1SRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HSP90AB1 2/4885KCNH2 2202/4885HSP90AA1 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.