SCHEMBL2182935

SCHEMBL2182935

N#Cc1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCCC1(O)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.32
KDR P35968 1/20 0.31
PDE10A Q9Y233 2/20 0.31
CASP6 P55212 1/20 0.30
NPY5R Q15761 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
SCHEMBL2183424 0.93 FGFR1 (0.33) AMY1AKDRPDE10ANPY5R
SCHEMBL2183773 0.87 CHEK2 (0.36) AMY1ANPY5R
SCHEMBL12411912 0.81 HSP90AA1 (0.32)
SCHEMBL2181916 0.81 AMY1A (0.40) AMY1AKDRPDE10A
SCHEMBL2183348 0.81 CHEK2 (0.36) KDR
SCHEMBL2202656 0.80 KDR (0.33) AMY1AKDRPDE10ACASP6
SCHEMBL2181661 0.80 HSP90AA1 (0.36) AMY1AKDR
SCHEMBL2183903 0.80 CHEK2 (0.40)
SCHEMBL2182943 0.80 AMY1A (0.39) AMY1AKDRPDE10A
SCHEMBL2182153 0.77 NPY5R (0.36) AMY1APDE10ANPY5R

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 AMY1A 3371/4885KDR 2517/4885PDE10A 3590/4885

“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.