SCHEMBL2184084

SCHEMBL2184084

N#Cc1ncc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cc1NCCc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.45
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 1/20 0.37
KCNA5 P22460 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2181700 0.88 HSP90AA1 (0.34) HSP90AA1
SCHEMBL27856466 0.85 HSP90AA1 (0.50) HSP90AA1ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2181024 0.85 HSP90AA1 (0.55) HSP90AA1KDM4E
SCHEMBL2182883 0.81 HSP90AA1 (0.65) HSP90AA1
SCHEMBL2184974 0.80 PIK3CA (0.38) HSP90AA1NPC1RAB9AMAPT
SCHEMBL2184680 0.77 HSP90AA1 (0.53) HSP90AA1
SCHEMBL2182164 0.77 HSP90AA1 (0.45) HSP90AA1
SCHEMBL2181577 0.75 HSP90AA1 (0.40) HSP90AA1
SCHEMBL3433972 0.74 PDGFRB (0.38) HSP90AA1NPC1RAB9AMAPT
SCHEMBL2181503 0.74 HSP90AA1 (0.56) 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 5 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
CN-102026992-A Novel HSP90 inhibitory carbazole derivatives, compositions containing the same and uses thereof SANOFI AVENTIS 2011-04-20 CN 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 3/4885ALDH1A1 1673/4885KDM4E 4702/4885

“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.