SCHEMBL978868

SCHEMBL978868

NC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 15/20 1.00
NR3C2 P08235 2/20 0.56
MAPT P10636 2/20 0.56
PTGS2 P35354 1/20 0.53
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL978943 0.92 PDPK1 (0.85) PDPK1MAPTPTGS2TP53SMN1; SMN2
Ar-12 SCHEMBL30099806 0.90 PDPK1 (1.00) PDPK1MAPTPTGS2TP53SMN1; SMN2
Ar-12 SCHEMBL570472 0.90 PDPK1 (1.00) PDPK1MAPTPTGS2TP53SMN1; SMN2
SCHEMBL979913 0.89 PDPK1 (0.79) PDPK1NR3C2MAPTPTGS2
SCHEMBL981931 0.88 PDPK1 (0.81) PDPK1NR3C2MAPTPTGS2TP53
SCHEMBL15004479 0.87 PDPK1 (0.77) PDPK1NR3C2MAPTPTGS2TP53
SCHEMBL5674265 0.87 PDPK1 (1.00) PDPK1PTGS2
SCHEMBL13608762 0.87 PDPK1 (0.81) PDPK1MAPTPTGS2TP53SMN1; SMN2
SCHEMBL17077243 0.86 PDPK1 (0.75) PDPK1MAPTTP53SMN1; SMN2
SCHEMBL980502 0.85 PDPK1 (0.78) PDPK1MAPTPTGS2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741944-B2 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-06-03 US disclosed
US-8546441-B2 PDK-1/AKT signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8541460-B2 Phosphoinositide-dependent kinase-1 (PDK-1) inhibitors; for the treatment and prevention of cancer in humans; 4-[5-(2-Phenanthracenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenecarboxamide THE OHIO STATE UNIVERSITY (US) 2013-09-24 US disclosed
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-09-12 US disclosed
US-8445483-B1 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-21 US disclosed
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-05-02 US disclosed
EP-1696907-B1 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2013-04-17 EP disclosed
US-8080574-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-12-20 US disclosed
US-8039502-B2 Anti-infective agents against intracellular pathogens THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-10-18 US disclosed
US-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-01-20 US disclosed
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-12 US disclosed
US-7576116-B2 PDK-1/Akt signaling inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-18 US disclosed
US-20090111799-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-04-30 US disclosed
US-20080269309-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-10-30 US disclosed
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-06-19 US disclosed
EP-1696907-A4 PDK-1/AKT SIGNALING INHIBITORS UNIV OHIO STATE RES FOUND (US) 2007-09-05 EP disclosed
CN-1889949-A PDK-1/Akt signaling inhibitors UNIV OHIO STATE RES FOUND (US) 2007-01-03 CN disclosed
EP-1696907-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-06 EP disclosed
US-20060079566-A1 PDK-1/Akt signaling inhibitors THE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-04-13 US disclosed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 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 (8 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-20110015242-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, TNNI3K, MAP3K1 PDPK1 1/4885NR3C2 3659/4885MAPT 4759/4885
US-20060079566-A1 PDK-1/Akt signaling inhibitors PDPK1, PDXK, PDK3 PDPK1 1/4885NR3C2 3949/4885MAPT 4725/4885
US-20090281328-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA PDPK1 1/4885NR3C2 3983/4885MAPT 4753/4885
US-20130237575-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 PDPK1 1/4885NR3C2 4529/4885MAPT 4155/4885
US-20080146815-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, PDXK, PI4KA PDPK1 1/4885NR3C2 4008/4885MAPT 4754/4885
US-20080269309-A1 PDK-1/AKT SIGNALING INHIBITORS PDPK1, TNNI3K, MAP3K1 PDPK1 1/4885NR3C2 3659/4885MAPT 4759/4885
US-20130109681-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 PDPK1 1/4885NR3C2 4529/4885MAPT 4155/4885
US-20090111799-A1 ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS PDPK1, PLK3, SIK3 PDPK1 1/4885NR3C2 4529/4885MAPT 4155/4885

“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.