SCHEMBL2182669

SCHEMBL2182669

CN1C2CCC1CC(Nc1cc(-n3c4ccccc4c4c(-c5ccc(C#N)nc5)cccc43)ccc1C(=O)O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
HTR3A P46098 7/20 0.40
HTR3E A5X5Y0 5/20 0.40
HTR3B O95264 5/20 0.40
HTR3D Q70Z44 5/20 0.40
HTR3C Q8WXA8 5/20 0.40
HSP90AA1 P07900 5/20 0.38
USP14 P54578 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A2 O15244 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC47A1 Q96FL8 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
Hydrochloric Acid SCHEMBL2184372 0.99 CHEK1 (0.43) CHEK1CHEK2HTR3AHTR3EHTR3B
SCHEMBL2182947 0.93 HSP90AA1 (0.45) CHEK1CHEK2HSP90AA1
SCHEMBL2184893 0.90 CHEK1 (0.44) CHEK1CHEK2HTR3AHTR3EHTR3B
SCHEMBL3417339 0.88 HSP90AA1 (0.47) HSP90AA1USP14
SCHEMBL2184425 0.88 HSP90AA1 (0.47) HSP90AA1USP14
SCHEMBL2182322 0.87 HSP90AA1 (0.41) HSP90AA1USP14MELK
SCHEMBL2185932 0.87 HSP90AA1 (0.36) CHEK1CHEK2HSP90AA1USP14KCNH2
SCHEMBL2182811 0.81 HSP90AA1 (0.55) HSP90AA1
SCHEMBL2184516 0.81 HSP90AA1 (0.48) HSP90AA1
SCHEMBL2184851 0.80 HSP90AA1 (0.43) HSP90AA1KCNH2

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 CHEK1 2282/4885CHEK2 2483/4885HTR3A 790/4885

“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.