SCHEMBL2184488

SCHEMBL2184488

N#Cc1ncc(NC2CCOCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MAPK14 Q16539 5/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
NSD2 O96028 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MET P08581 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1394739 0.78 MAPK1 (0.40) MAPK1MAPK14IRAK4NSD2PRKCQ
SCHEMBL1343010 0.75 MAPK1 (0.43) MAPK1MAPK14HDAC3HDAC1HDAC2
SCHEMBL21427177 0.69 MAPK1 (0.47) MAPK1IRAK4NSD2HDAC3HDAC1
SCHEMBL30040202 0.69 BACE1 (0.43) MAPK1HDAC3HDAC1HDAC2BACE1
SCHEMBL23799087 0.69 NSD2 (0.40) MAPK1JAK2JAK1IRAK4NSD2
SCHEMBL22573067 0.67 MAPK1 (0.59) MAPK1IRAK4HDAC3HDAC1HDAC2
SCHEMBL2184694 0.67 CHEK1 (0.37) JAK2JAK1ALDH1A1HPGDTSHR
SCHEMBL21617353 0.67 EGLN2 (0.43) MAPK1NSD2KDM4EALDH1A1HPGD
SCHEMBL3764017 0.67 MAPK1 (0.36) MAPK1IRAK4NSD2HDAC3HDAC1
SCHEMBL488077 0.67 MAPK1 (0.44) MAPK1JAK1MAPK14BACE1BACE2

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 MAPK1 1387/4885JAK2 884/4885JAK1 1348/4885

“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.