SCHEMBL2565613

SCHEMBL2565613

CCN(CC)CCSc1nc(-c2ccc(F)cc2C)c2c(C#N)c[nH]c2n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 14/20 0.69
KCNH2 Q12809 4/20 0.62
HSP90AA1 P07900 1/20 0.42
CHUK O15111 2/20 0.39

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
SCHEMBL2567024 0.87 HSP90AB1 (0.74) HSP90AB1KCNH2HSP90AA1CHUK
SCHEMBL2564826 0.82 HSP90AB1 (1.00) HSP90AB1KCNH2HSP90AA1CHUK
SCHEMBL2564830 0.80 HSP90AB1 (0.64) HSP90AB1KCNH2
SCHEMBL2569269 0.80 HSP90AB1 (0.69) HSP90AB1KCNH2HSP90AA1CHUK
SCHEMBL2565006 0.78 HSP90AB1 (1.00) HSP90AB1KCNH2HSP90AA1CHUK
SCHEMBL2565891 0.78 HSP90AB1 (1.00) HSP90AB1KCNH2HSP90AA1
SCHEMBL2568458 0.77 KCNH2 (1.00) HSP90AB1KCNH2HSP90AA1
SCHEMBL2559397 0.77 KCNH2 (1.00) HSP90AB1KCNH2HSP90AA1
SCHEMBL2569789 0.76 HSP90AB1 (0.40) HSP90AB1KCNH2
SCHEMBL2565896 0.75 HSP90AB1 (1.00) HSP90AB1HSP90AA1CHUK

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 8 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
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 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.