SCHEMBL2037074

SCHEMBL2037074

CNC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)c(Cl)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.48
PIK3CG P48736 1/20 0.43
NR4A2 P43354 1/20 0.43
CSNK1D P48730 4/20 0.41
CSNK1E P49674 4/20 0.41
PDK2 Q15119 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CDK8 P49336 1/20 0.39
ADCY8 P40145 1/20 0.39
ADCY1 Q08828 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
GRM5 P41594 1/20 0.38
KAT6A Q92794 1/20 0.38
CRBN Q96SW2 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL12544149 0.89 NR4A2 (0.45) TDP2PIK3CGNR4A2CSNK1DCSNK1E
SCHEMBL1934944 0.82 MEN1 (0.43) TDP2PIK3CGCSNK1DCSNK1EADCY8
SCHEMBL1936881 0.81 TDP2 (0.40) TDP2PIK3CGCSNK1DCSNK1E
SCHEMBL2469404 0.78 PPARG (0.43) TDP2CSNK1DCSNK1EADCY8ADCY1
SCHEMBL2029037 0.78 TDP2 (0.45) TDP2PIK3CGNR4A2CSNK1DCSNK1E
SCHEMBL1935004 0.76 CYP2C8 (0.48) TDP2CSNK1DCSNK1EADCY8ADCY1
SCHEMBL12329897 0.76 TRIM24 (0.37) TDP2PIK3CGCSNK1DCSNK1EGRM5
SCHEMBL2467410 0.75 CYP2C8 (0.46) TDP2
SCHEMBL12329794 0.73 AGXT (0.37) TDP2
SCHEMBL2034297 0.73 KDM5A (0.44) TDP2PIK3CGNR4A2PDK2JAK2

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 TDP2 2587/4885PIK3CG 4644/4885NR4A2 3/4885

“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.