SCHEMBL2185300

SCHEMBL2185300

CC(O)CCNc1c(C#N)cccc1-n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.34
LRRK2 Q5S007 1/20 0.33
MAPK10 P53779 2/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
MTOR P42345 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
NTSR1 P30989 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
SCHEMBL2183791 0.88 POLB (0.40) HSP90AA1PDGFRBPDGFRA
SCHEMBL2185381 0.87 MTOR (0.36) HSP90AA1MTOR
SCHEMBL2181396 0.86 MEN1 (0.35) HSP90AA1PDGFRBPDGFRA
SCHEMBL2182391 0.83 PDGFRB (0.40) HSP90AA1LRRK2MTORPDGFRBPDGFRA
SCHEMBL2183658 0.79 PDGFRB (0.38) HSP90AA1LRRK2MTORPDGFRBPDGFRA
SCHEMBL27851828 0.78 HSP90AA1 (0.38) HSP90AA1MTOR
SCHEMBL2181790 0.75 HSP90AA1 (0.54) HSP90AA1
SCHEMBL3434331 0.74 HSP90AA1 (0.39) HSP90AA1LRRK2
SCHEMBL2183561 0.74 HSP90AA1 (0.39) HSP90AA1LRRK2
SCHEMBL3433972 0.73 PDGFRB (0.38) HSP90AA1MTORPDGFRBPDGFRA

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 HSP90AA1 3/4885LRRK2 4120/4885MAPK10 2947/4885

“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.