SCHEMBL2182172

SCHEMBL2182172

COCCCNc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 3/20 0.38
PARP1 P09874 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
INSR P06213 1/20 0.36
ALK Q9UM73 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HSP90AA1 P07900 5/20 0.35
CHEK2 O96017 1/20 0.35
LMNA P02545 1/20 0.34
FLT3 P36888 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TRAP1 Q12931 1/20 0.34

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
SCHEMBL2185332 0.91 HSP90AA1 (0.40) AMY1APARP1HSP90AA1CHEK2FLT3
SCHEMBL2181415 0.91 CHEK2 (0.37) AMY1APARP1HSP90AA1CHEK2FLT3
SCHEMBL2183548 0.90 HSP90AA1 (0.36) AMY1APARP1HDAC6FGFR1FGFR2
SCHEMBL2179755 0.90 CHEK2 (0.38) AMY1APARP1HDAC6CHEK2FLT3
SCHEMBL2184560 0.90 CHEK2 (0.38) AMY1APARP1CHEK2FLT3
SCHEMBL2185287 0.90 CHEK2 (0.38) AMY1APARP1HSP90AA1CHEK2
SCHEMBL2183551 0.89 CHEK2 (0.37) AMY1APARP1HDAC6CHEK2FLT3
SCHEMBL2184484 0.89 HSP90AA1 (0.36) AMY1APARP1HSP90AA1CHEK2FLT3
SCHEMBL2183470 0.89 CHEK2 (0.35) AMY1APARP1PRMT5WDR77HSP90AA1
SCHEMBL2183426 0.89 HSP90AA1 (0.37) AMY1APARP1KDM4EPRMT5WDR77

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 9 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-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
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
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 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
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 AMY1A 3371/4885PARP1 4296/4885HDAC6 183/4885

“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.