SCHEMBL3097233

SCHEMBL3097233

N#Cc1cccc(-c2ccc[c]c2C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
ADRA2C P18825 1/20 0.45
CDC7 O00311 1/20 0.42
SLC22A12 Q96S37 2/20 0.42
XDH P47989 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
CSF1R P07333 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MAOB P27338 1/20 0.39
BRD4 O60885 1/20 0.38
TNF P01375 1/20 0.38
F11 P03951 1/20 0.37
PIN1 Q13526 1/20 0.37
PDK2 Q15119 1/20 0.37
PTPN5 P54829 1/20 0.36
HPGDS O60760 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
SCHEMBL4630355 0.84 IRAK4 (0.41) CSF1R
SCHEMBL4911450 0.80 PARP1 (0.43) IKBKBCLK4HPGDS
SCHEMBL3085799 0.80 MAP4K4 (0.41) IKBKBMAOBBRD4
SCHEMBL3659396 0.77 CYP11B2 (0.49) SLC22A12
SCHEMBL3660537 0.77 CNR2 (0.43) CDC7XDHPTGDR2
SCHEMBL2636302 0.77 BCAT2 (0.53) IKBKBCHUK
SCHEMBL20703692 0.77 BCAT2 (0.59) IKBKBCHUKADRA2CCDC7SLC22A12
SCHEMBL7117229 0.75 IKBKB (0.51) IKBKBCHUKBRD4
SCHEMBL3091864 0.75 PARP1 (0.49) IKBKBCDC7
SCHEMBL5144593 0.75 CLK4 (0.47) ADRA2CSLC22A12XDHPTGDR2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 IKBKB 162/4885CHUK 82/4885ADRA2C 2696/4885

“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.