SCHEMBL2010291

SCHEMBL2010291

CNC(=O)c1cccc(-c2ccn3nc(-c4cccc(F)c4F)cc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
PIK3CG P48736 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
KAT6A Q92794 2/20 0.40
FYN P06241 4/20 0.39
NR4A2 P43354 1/20 0.39
CDK8 P49336 1/20 0.39
TDP2 O95551 1/20 0.37
FAAH O00519 3/20 0.37
MAP4K4 O95819 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL2034283 0.93 PDK2 (0.46) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL2031881 0.87 PDK2 (0.42) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL2035430 0.85 JAK2 (0.46) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL2034739 0.85 PIK3CG (0.44) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL2009206 0.85 GRM5 (0.46) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL2034297 0.84 KDM5A (0.44) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL2029037 0.84 TDP2 (0.45) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL12543974 0.83 KAT6A (0.46) PDK2ADRA2AADRA1APIK3CGKDM5A
SCHEMBL2034154 0.81 NR4A2 (0.48) PDK2PIK3CGKDM5AKDM4CKDM5B
SCHEMBL2032150 0.80 NR4A2 (0.58) PIK3CGKDM5AKDM4CKDM5BKAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507238-B1 DIPHENYL-PYRAZOLOPYRIDINE COMPOUNDS, THEIR PREPARATION AND THEIR APPLICATION AS MODULATORS OF THE NUCLEAR RECEPTOR NOT SANOFI SA (FR) 2013-07-31 EP claimed
EP-2507238-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-10-10 EP claimed
US-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-09-27 US claimed
WO-2011067544-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI-AVENTIS (FR) 2011-06-09 WO claimed
US-8680096-B2 Diphenyl-pyrazolopyridine derivatives, preparation thereof, and use thereof as nuclear receptor not modulators SANOFI-AVENTIS (FR) 2014-03-25 US disclosed
EP-2507238-B1 DIPHENYL-PYRAZOLOPYRIDINE COMPOUNDS, THEIR PREPARATION AND THEIR APPLICATION AS MODULATORS OF THE NUCLEAR RECEPTOR NOT SANOFI SA (FR) 2013-07-31 EP disclosed
EP-2507238-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-10-10 EP disclosed
US-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011067544-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI-AVENTIS (FR) 2011-06-09 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-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS NR4A3, NCOR1, NR4A2 PDK2 1996/4885ADRA2A 542/4885ADRA1A 370/4885

“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.