SCHEMBL2184101

SCHEMBL2184101

N#Cc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc(C#N)c(F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
NR3C1 P04150 1/20 0.35
HIF1A Q16665 1/20 0.35
USP14 P54578 1/20 0.35
EED O75530 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
TNF P01375 1/20 0.34
CHEK1 O14757 1/20 0.34
KCNA5 P22460 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
SCHEMBL2180292 0.87 CYP11B1 (0.39) CYP11B1CYP11B2PDE4BPDE4DEGLN2
SCHEMBL2183741 0.87 CYP11B1 (0.39) CYP11B1CYP11B2PDE4BPDE4DEGLN2
SCHEMBL3415025 0.87 AXL (0.41) USP14
SCHEMBL3412656 0.85 EP300 (0.41) CYP11B1CYP11B2PDE4BPDE4DEGLN2
SCHEMBL2181737 0.84 CYP11B1 (0.42) CYP11B1CYP11B2PDE4BPDE4DNR3C1
Carbamic Acid SCHEMBL13673767 0.82 PDE4B (0.38) CYP11B1CYP11B2PDE4BPDE4DEGLN2
SCHEMBL2181941 0.82 GPR119 (0.36) USP14ALOX5APFEN1TNF
Carbamic Acid SCHEMBL3416927 0.82 CYP11B2 (0.41) CYP11B1CYP11B2PDE4BPDE4DEGLN2
SCHEMBL2183232 0.81 KDM1A (0.36) CYP11B1CYP11B2PDE4BPDE4DEGLN2
SCHEMBL2182046 0.79 CYP11B1 (0.53) CYP11B1CYP11B2EEDSUZ12EZH2

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 CYP11B1 241/4885CYP11B2 127/4885PDE4B 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.