SCHEMBL2183173

SCHEMBL2183173

CC(C)(C)OC(=O)c1ccc(-n2c3ccccc3c3c(-c4ccc(C#N)nc4)cccc32)cc1NC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.40
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PDE9A O76083 1/20 0.35
USP14 P54578 1/20 0.35
MAPK1 P28482 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
MELK Q14680 1/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL2183606 0.92 HSP90AA1 (0.45) HSP90AA1USP14
SCHEMBL2183601 0.92 HSP90AA1 (0.45) HSP90AA1USP14
SCHEMBL2182322 0.89 HSP90AA1 (0.41) HSP90AA1JAK1JAK3PDE9AUSP14
SCHEMBL2184893 0.89 CHEK1 (0.44) HSP90AA1GPR119USP14MAPK1CHEK1
SCHEMBL2184516 0.89 HSP90AA1 (0.48) HSP90AA1JAK1JAK3
SCHEMBL2183571 0.88 HSP90AA1 (0.34) HSP90AA1JAK1JAK3GPR119USP14
SCHEMBL2181941 0.84 GPR119 (0.36) JAK1GPR119USP14BCL2BCL2L1
SCHEMBL2183331 0.83 USP14 (0.34) HSP90AA1GPR119USP14BCL2BCL2L1
SCHEMBL2182539 0.82 USP14 (0.33) HSP90AA1GPR119USP14BCL2BCL2L1
SCHEMBL2183419 0.82 HSP90AA1 (0.36) HSP90AA1GPR119USP14BCL2BCL2L1

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.