SCHEMBL2182164

SCHEMBL2182164

N#Cc1ncc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.45
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK10 P53779 3/20 0.39

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
SCHEMBL2184680 0.91 HSP90AA1 (0.53) HSP90AA1
SCHEMBL1395213 0.86 HSP90AA1 (0.59) HSP90AA1JAK1JAK3MAPK10
SCHEMBL2181577 0.85 HSP90AA1 (0.40) HSP90AA1
SCHEMBL12411981 0.85 HSP90AA1 (0.55) HSP90AA1JAK1JAK3
SCHEMBL12411733 0.81 HSP90AA1 (0.65) HSP90AA1JAK1JAK3
SCHEMBL2181700 0.80 HSP90AA1 (0.34) HSP90AA1
SCHEMBL2184974 0.80 PIK3CA (0.38) HSP90AA1JAK3
SCHEMBL2183243 0.79 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2184084 0.77 HSP90AA1 (0.45) HSP90AA1
SCHEMBL424005 0.77 HSP90AA1 (0.59) 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 HSP90AA1 3/4885JAK1 1348/4885JAK3 1184/4885

“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.