SCHEMBL2182355

SCHEMBL2182355

NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1N[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.43
CHEK2 O96017 1/20 0.36
JAK2 O60674 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
SCHEMBL2182353 1.00 HSP90AA1 (0.43) HSP90AA1CHEK2JAK2
SCHEMBL12411941 0.94 HSP90AA1 (0.43) HSP90AA1JAK2
SCHEMBL2183160 0.92 HSP90AA1 (0.43) HSP90AA1CHEK2JAK2
SCHEMBL2182937 0.92 HSP90AA1 (0.51) HSP90AA1
SCHEMBL2180278 0.92 HSP90AA1 (0.51) HSP90AA1
SCHEMBL2184061 0.89 HSP90AA1 (0.41) HSP90AA1CHEK2
SCHEMBL3433985 0.89 HSP90AA1 (0.43) HSP90AA1CHEK2
SCHEMBL2183269 0.88 HSP90AA1 (0.43) HSP90AA1CHEK2JAK2
SCHEMBL2183495 0.86 HSP90AA1 (0.43) HSP90AA1
SCHEMBL2183491 0.86 HSP90AA1 (0.43) HSP90AA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 3/4885CHEK2 2483/4885JAK2 884/4885

“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.