SCHEMBL2182007

SCHEMBL2182007

NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.41
AMY1A P0DUB6 4/20 0.39
F7 P08709 1/20 0.38
PARP1 P09874 2/20 0.38
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
PRSS1 P07477 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CBFB Q13951 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL12411482 0.93 PARP1 (0.38) CHEK2F7PARP1KDM4EALDH1A1
SCHEMBL2185941 0.92 CHEK2 (0.42) CHEK2AMY1AF7PARP1F2
SCHEMBL2184976 0.87 HSP90AA1 (0.41) CHEK2
SCHEMBL2179755 0.86 CHEK2 (0.38) CHEK2AMY1AF7PARP1
SCHEMBL2184560 0.86 CHEK2 (0.38) CHEK2AMY1AF7PARP1F2
SCHEMBL2185287 0.86 CHEK2 (0.38) CHEK2AMY1AF7PARP1
SCHEMBL2183160 0.86 HSP90AA1 (0.43) CHEK2SMN1; SMN2
SCHEMBL2181319 0.86 CHEK2 (0.37) CHEK2AMY1AF7PARP1
SCHEMBL2183551 0.86 CHEK2 (0.37) CHEK2AMY1AF7PARP1
SCHEMBL2180278 0.85 HSP90AA1 (0.51)

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 8 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 claimed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US claimed
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP claimed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO claimed
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 2483/4885AMY1A 3371/4885F7 4744/4885

“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.