SCHEMBL2182157

SCHEMBL2182157

CC(=O)OC1CCC(Nc2cc(-n3c4ccccc4c4c(-c5nc6ccc(F)cc6[nH]5)cccc43)ccc2C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
AMY1A P0DUB6 4/20 0.34
BACE1 P56817 2/20 0.33
AR P10275 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
JUN P05412 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
DGAT1 O75907 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
MCHR1 Q99705 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HSP90AA1 P07900 2/20 0.32
ADORA2A P29274 1/20 0.32
KCNH2 Q12809 1/20 0.32
HCRTR1 O43613 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
SCHEMBL2182153 1.00 NPY5R (0.36) NPY5RAMY1ABACE1ARBACE2
SCHEMBL2181661 0.90 HSP90AA1 (0.36) AMY1ABACE1BACE2JUNCDK2
SCHEMBL2183495 0.88 HSP90AA1 (0.43) NPY5RHSP90AA1
SCHEMBL2183491 0.88 HSP90AA1 (0.43) NPY5RHSP90AA1
SCHEMBL1076054 0.82 HSP90AA1 (0.36) AMY1AHSP90AA1KCNH2
SCHEMBL1076728 0.81 AMY1A (0.35) AMY1AJUNCDK2MAPK8MAPK9
SCHEMBL12411533 0.81 HSP90AA1 (0.43) HSP90AA1
SCHEMBL12411529 0.81 HSP90AA1 (0.50) HSP90AA1
SCHEMBL13658319 0.81 HSP90AA1 (0.50) HSP90AA1
SCHEMBL12411525 0.80 HSP90AA1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 NPY5R 1733/4885AMY1A 3371/4885BACE1 4396/4885

“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.