SCHEMBL2180934

SCHEMBL2180934

CN(CC(N)=O)c1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.37
AMY1A P0DUB6 2/20 0.36
F7 P08709 1/20 0.34
PARP1 P09874 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2180939 0.88 CHEK2 (0.37) CHEK2AMY1AF7PARP1
SCHEMBL2183311 0.87 CHEK2 (0.37) CHEK2AMY1AF7PARP1HDAC6
SCHEMBL2185941 0.86 CHEK2 (0.42) CHEK2AMY1AF7PARP1MMP2
SCHEMBL2183895 0.85 CHEK2 (0.36) CHEK2AMY1AF7PARP1HDAC6
SCHEMBL2182007 0.85 CHEK2 (0.41) CHEK2AMY1AF7PARP1
SCHEMBL2182604 0.85 CHEK2 (0.34) CHEK2AMY1AF7PARP1MMP2
SCHEMBL2182129 0.85 CHEK2 (0.34) CHEK2AMY1AF7PARP1MMP2
SCHEMBL2184058 0.84 CHEK2 (0.36) CHEK2AMY1AF7
SCHEMBL2182399 0.84 HSP90AA1 (0.42) CHEK2AMY1APARP1CYP1A2CYP3A4
SCHEMBL2182589 0.84 CHEK2 (0.34) CHEK2AMY1AF7CYP1A2CYP3A4

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 2 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

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.