SCHEMBL12411705

SCHEMBL12411705

CN1CCC(O)(CNc2cc(-n3c4ccccc4c4c(-c5nc6ccc(F)cc6[nH]5)cccc43)ccc2C(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.40
PDGFRB P09619 5/20 0.36
FGFR1 P11362 5/20 0.36
KDR P35968 5/20 0.36
BTK Q06187 4/20 0.36
CSF1R P07333 2/20 0.34
PLK4 O00444 1/20 0.34
STK25 O00506 1/20 0.34
CIT O14578 1/20 0.34
RIOK3 O14730 1/20 0.34
CHEK1 O14757 1/20 0.34
GAK O14976 1/20 0.34
CHUK O15111 1/20 0.34
MUSK O15146 1/20 0.34
EPHB6 O15197 1/20 0.34
PDPK1 O15530 1/20 0.34
MAP3K13 O43283 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP3K7 O43318 1/20 0.34
NUAK1 O60285 1/20 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
SCHEMBL12411957 0.95 BTK (0.36) CHEK2PDGFRBFGFR1KDRBTK
SCHEMBL2183315 0.94 CHEK2 (0.41) CHEK2METAP2
SCHEMBL2183348 0.93 CHEK2 (0.36) CHEK2PDGFRBFGFR1KDRBTK
SCHEMBL2183903 0.93 CHEK2 (0.40) CHEK2METAP2
SCHEMBL12411976 0.89 CHEK2 (0.36) CHEK2BTKRPS6KB1
SCHEMBL12411910 0.88 BTK (0.35) BTKCSF1RPDPK1JAK2INSR
SCHEMBL12411967 0.88 CHEK2 (0.35) CHEK2BTKRPS6KB1
SCHEMBL2182799 0.87 CHEK2 (0.37) CHEK2PDGFRBFGFR1KDRHRH4
SCHEMBL2183773 0.86 CHEK2 (0.36) CHEK2METAP2
SCHEMBL2184676 0.85 HSP90AA1 (0.43) CHEK2FGFR1CSF1RFGFR2FGFR3

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 CHEK2 2483/4885PDGFRB 1160/4885FGFR1 2567/4885

“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.