SCHEMBL4258586

SCHEMBL4258586

CCN(CC)CCOc1cc(-c2nc(SCCNC(C)=O)nc3[nH]cnc23)c(Cl)cc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 11/20 0.48
KCNH2 Q12809 4/20 0.48
HSP90AA1 P07900 4/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.33
KDR P35968 3/20 0.31
EGFR P00533 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4258574 0.86 HSP90AB1 (0.56) HSP90AB1KCNH2HSP90AA1CYP2C19LMNA
SCHEMBL4089936 0.84 HSP90AB1 (0.60) HSP90AB1KCNH2HSP90AA1CYP2C19
SCHEMBL4094869 0.80 HSP90AB1 (0.46) HSP90AB1KCNH2HSP90AA1CYP2C19KDR
SCHEMBL4091000 0.73 HSP90AB1 (0.51) HSP90AB1KCNH2HSP90AA1CYP2C19KDR
SCHEMBL2562465 0.65 HSP90AB1 (1.00) HSP90AB1KCNH2HSP90AA1CYP2C19
SCHEMBL13765766 0.65 TSHR (0.50) CYP2C19LMNA
SCHEMBL13765767 0.64 CRHR1 (0.39) HSP90AB1KCNH2LMNA
SCHEMBL12161013 0.64 KCNH2 (0.77) HSP90AB1KCNH2HSP90AA1
SCHEMBL3961277 0.64 HSP90AA1 (0.83) HSP90AB1KCNH2HSP90AA1CYP2C19
SCHEMBL13765764 0.64 HSP90AB1 (0.47) HSP90AB1HSP90AA1CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer VERNALIS ( R & D) LTD. (GB) 2009-07-16 US 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-20090181989-A1 Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer HSP90AA1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885KCNH2 3508/4885HSP90AA1 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.