SCHEMBL2182604

SCHEMBL2182604

CN(c1c[nH]cn1)c1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.34
AMY1A P0DUB6 3/20 0.34
KDR P35968 2/20 0.32
F7 P08709 1/20 0.32
BTK Q06187 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
CXCR3 P49682 1/20 0.31
PARP1 P09874 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
CBFB Q13951 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL2182129 0.90 CHEK2 (0.34) CHEK2AMY1AKDRF7BTK
SCHEMBL2202654 0.86 AMY1A (0.35) AMY1AKDRMETAP2METAP1CBFB
SCHEMBL2184058 0.85 CHEK2 (0.36) CHEK2AMY1AKDRF7BTK
SCHEMBL2180939 0.85 CHEK2 (0.37) CHEK2AMY1AKDRF7BTK
SCHEMBL2180934 0.85 CHEK2 (0.37) CHEK2AMY1AF7PARP1MMP2
SCHEMBL2183311 0.84 CHEK2 (0.37) CHEK2AMY1AKDRF7PDGFRB
SCHEMBL2182589 0.84 CHEK2 (0.34) CHEK2AMY1AKDRF7BTK
SCHEMBL2185941 0.83 CHEK2 (0.42) CHEK2AMY1AF7PCSK9PARP1
SCHEMBL2183895 0.82 CHEK2 (0.36) CHEK2AMY1AKDRF7PDGFRB
SCHEMBL2182607 0.82 CHEK2 (0.35) CHEK2AMY1AKDRF7PCSK9

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 2483/4885AMY1A 3371/4885KDR 2517/4885

“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.