SCHEMBL12411787

SCHEMBL12411787

CN1C(C)(C)CC(Nc2cc(Cl)ncc2C(N)=O)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
SCN9A Q15858 1/20 0.40
NNMT P40261 2/20 0.39
JAK3 P52333 10/20 0.37
JAK2 O60674 9/20 0.36
JAK1 P23458 8/20 0.36
KCNH2 Q12809 6/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
PLK1 P53350 1/20 0.35
CCNA1 P78396 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 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
SCHEMBL4406633 0.81 CA1 (0.47) NNMTJAK3JAK2CA1CA2
SCHEMBL10198971 0.79 FLT3 (0.44) FLT3TYRO3MERTKGAS6MAPK8
SCHEMBL2479539 0.77 CA1 (0.56) JAK3JAK2KCNH2CA1CA2
SCHEMBL2695912 0.76 MAPK8 (0.50) CA1CA2CA3CA6CA7
SCHEMBL2181816 0.76 MAPK8 (0.50) CA1CA2CA3CA6CA7
SCHEMBL4406779 0.76 MAPK8 (0.50) CA1CA2CA3CA6CA7
SCHEMBL2182279 0.75 KCNH2 (0.48) JAK3JAK2JAK1KCNH2CA1
SCHEMBL12321310 0.74 NNMT (0.40) NNMTJAK3JAK2JAK1CA1
SCHEMBL12321828 0.74 NNMT (0.40) NNMTJAK3JAK2JAK1CA1
SCHEMBL21949100 0.73 MAPK8 (0.57) CA1CA2CA3CA6CA7

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-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
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US 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 CYP3A4 867/4885SCN9A 1280/4885NNMT 2289/4885

“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.