SCHEMBL461822

SCHEMBL461822

N#Cc1ccc(-n2nc(C(F)(F)F)c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.42
HSP90AB1 P08238 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
PRKCQ Q04759 4/20 0.34
PRKCD Q05655 3/20 0.34
AMY1A P0DUB6 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL461821 1.00 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1TRAP1PRKCQ
SCHEMBL461325 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1PRKCQAMY1A
SCHEMBL461324 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1PRKCQAMY1A
SCHEMBL462027 0.87 HSP90AA1 (0.57) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL462028 0.87 HSP90AA1 (0.57) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL2181661 0.84 HSP90AA1 (0.36) HSP90AA1PRKCQPRKCDAMY1A
SCHEMBL1076054 0.83 HSP90AA1 (0.36) HSP90AA1HSP90AB1PRKCQAMY1A
SCHEMBL1078057 0.82 HSP90AA1 (0.47) HSP90AA1PRKCQPRKCDAMY1A
SCHEMBL425958 0.81 HSP90AA1 (0.64) HSP90AA1
SCHEMBL425959 0.81 HSP90AA1 (0.64) HSP90AA1

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
EP-2408762-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-25 EP disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 US disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885HSP90B1 4/4885

“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.