SCHEMBL2183182

SCHEMBL2183182

C[C@H](O)CCNc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.35
HSP90AA1 P07900 12/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
AMY1A P0DUB6 1/20 0.35
PARP1 P09874 2/20 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
SCHEMBL2183179 1.00 CHEK2 (0.35) CHEK2HSP90AA1MMP2MMP3MMP9
SCHEMBL2183175 1.00 CHEK2 (0.35) CHEK2HSP90AA1MMP2MMP3MMP9
SCHEMBL2184178 0.93 CHEK2 (0.36) CHEK2HSP90AA1MMP2MMP3MMP9
SCHEMBL2184187 0.93 CHEK2 (0.36) CHEK2HSP90AA1MMP2MMP3MMP9
SCHEMBL2184182 0.93 CHEK2 (0.36) CHEK2HSP90AA1MMP2MMP3MMP9
SCHEMBL2183551 0.91 CHEK2 (0.37) CHEK2MMP2MMP3MMP9MMP13
SCHEMBL13658321 0.91 JAK2 (0.40) CHEK2HSP90AA1MMP2MMP3MMP9
SCHEMBL2185287 0.90 CHEK2 (0.38) CHEK2HSP90AA1AMY1APARP1
SCHEMBL2184560 0.90 CHEK2 (0.38) CHEK2AMY1APARP1
SCHEMBL2179755 0.90 CHEK2 (0.38) CHEK2MMP2MMP3MMP9MMP13

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 CHEK2 2483/4885HSP90AA1 3/4885MMP2 3834/4885

“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.