SCHEMBL2182799

SCHEMBL2182799

CN1CCC(O)(CNc2c(C(N)=O)cccc2-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 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
SCHEMBL12411705 0.87 CHEK2 (0.40) CHEK2HRH4PDGFRBFGFR1KDR
SCHEMBL2183348 0.82 CHEK2 (0.36) CHEK2HRH4PDGFRBFGFR1KDR
SCHEMBL12411957 0.82 BTK (0.36) CHEK2PDGFRBFGFR1KDRHCRTR1
SCHEMBL2182797 0.81 KDM4E (0.37) CHEK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2183755 0.81 HSP90AA1 (0.40)
SCHEMBL2183315 0.81 CHEK2 (0.41) CHEK2MMP2MMP3MMP9MMP13
SCHEMBL2183903 0.80 CHEK2 (0.40) CHEK2MMP2MMP3MMP9MMP13
SCHEMBL12411910 0.77 BTK (0.35)
SCHEMBL12411976 0.76 CHEK2 (0.36) CHEK2PARP1
SCHEMBL2182794 0.75 CHEK2 (0.34) CHEK2TUBB4ATUBBTUBA3CTUBA1B

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 2483/4885TUBB4A 464/4885TUBB 244/4885

“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.