SCHEMBL2182392

SCHEMBL2182392

N#Cc1ccc(-n2c3ccccc3c3c(-c4cnc5ccccc5c4)cccc32)cc1NCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.46
ACP1 P24666 4/20 0.41
SMARCA2 P51531 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PIK3C2A O00443 2/20 0.37
PIK3C2B O00750 2/20 0.37

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
SCHEMBL2183661 0.85 HSP90AA1 (0.38) HSP90AA1PIK3C2APIK3C2BPIK3CAMTOR
SCHEMBL2182330 0.82 HSP90AA1 (0.40) HSP90AA1
SCHEMBL2181737 0.80 CYP11B1 (0.42) HSP90AA1MAPTCLK4PIK3C2APIK3C2B
SCHEMBL2183119 0.80 BIRC5 (0.37) HSP90AA1CLK4PIK3C2APIK3C2BPIK3CA
SCHEMBL2183243 0.79 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2183561 0.78 HSP90AA1 (0.39) HSP90AA1LRRK2
SCHEMBL3434331 0.78 HSP90AA1 (0.39) HSP90AA1LRRK2
SCHEMBL2693328 0.77 HSP90AA1 (0.77) HSP90AA1
SCHEMBL2181700 0.77 HSP90AA1 (0.34) HSP90AA1
SCHEMBL2182391 0.75 PDGFRB (0.40) HSP90AA1CLK4PIK3C2APIK3C2BPIK3CA

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 HSP90AA1 3/4885ACP1 2580/4885SMARCA2 2300/4885

“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.