SCHEMBL2182279

SCHEMBL2182279

NC(=O)c1cnc(Cl)cc1NC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
ATM Q13315 3/20 0.48
PDE4B Q07343 1/20 0.47
JAK2 O60674 1/20 0.45
ATR Q13535 1/20 0.45
MAPK1 P28482 2/20 0.44
IRAK4 Q9NWZ3 3/20 0.43
SYK P43405 2/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4406633 0.90 CA1 (0.47) JAK2SYKJAK3CA1CA2
SCHEMBL30906007 0.88 MAPK1 (0.46) KCNH2ATMMAPK1IRAK4CA1
SCHEMBL27093000 0.88 MAPK1 (0.46) KCNH2ATMMAPK1IRAK4CA1
SCHEMBL30201728 0.87 IRAK4 (0.47) KCNH2PDE4BMAPK1IRAK4HDAC3
SCHEMBL21724991 0.87 IRAK4 (0.47) KCNH2PDE4BMAPK1IRAK4HDAC3
SCHEMBL2479539 0.86 CA1 (0.56) KCNH2ATMPDE4BJAK2ATR
SCHEMBL2181816 0.85 MAPK8 (0.50) CA1CA2CA3CA6CA7
SCHEMBL2695912 0.85 MAPK8 (0.50) CA1CA2CA3CA6CA7
SCHEMBL4406779 0.85 MAPK8 (0.50) CA1CA2CA3CA6CA7
SCHEMBL21724833 0.85 OPRK1 (0.46) PDE4BMAPK1IRAK4HDAC3HDAC1

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 KCNH2 2531/4885ATM 4427/4885PDE4B 3797/4885

“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.