SCHEMBL2184058

SCHEMBL2184058

CN(c1cnn(C)c1)c1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.36
NR2E3 Q9Y5X4 1/20 0.34
AMY1A P0DUB6 1/20 0.33
BACE1 P56817 3/20 0.33
BACE2 Q9Y5Z0 3/20 0.33
FGFR1 P11362 2/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
HSP90AA1 P07900 2/20 0.32
TCF4 P15884 1/20 0.32
CTNNB1 P35222 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
F7 P08709 1/20 0.32
BTK Q06187 2/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
LCK P06239 1/20 0.32
LYN P07948 1/20 0.32
KIT P10721 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
SCHEMBL2182129 0.87 CHEK2 (0.34) CHEK2AMY1ABACE1BACE2FGFR1
SCHEMBL2182604 0.85 CHEK2 (0.34) CHEK2AMY1AFGFR1PDGFRBKDR
SCHEMBL2183311 0.84 CHEK2 (0.37) CHEK2AMY1AFGFR1PDGFRBKDR
SCHEMBL2180939 0.84 CHEK2 (0.37) CHEK2AMY1AFGFR1PDGFRBKDR
SCHEMBL2180934 0.84 CHEK2 (0.37) CHEK2AMY1AF7
SCHEMBL2184063 0.84 HSP90AA1 (0.38) CHEK2NR2E3HSP90AA1JAK2TYK2
SCHEMBL2183895 0.83 CHEK2 (0.36) CHEK2AMY1ABACE1BACE2FGFR1
SCHEMBL2185941 0.82 CHEK2 (0.42) CHEK2AMY1AF7
SCHEMBL2183156 0.82 HSP90AA1 (0.48) HSP90AA1
SCHEMBL2182589 0.82 CHEK2 (0.34) CHEK2AMY1AFGFR1PDGFRBKDR

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 4 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
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 CHEK2 2483/4885NR2E3 111/4885AMY1A 3371/4885

“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.