SCHEMBL2029037

SCHEMBL2029037

CNC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)cc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
PIK3CG P48736 1/20 0.45
NR4A2 P43354 1/20 0.45
GRM5 P41594 2/20 0.43
PDK2 Q15119 1/20 0.43
ADCY8 P40145 1/20 0.43
ADCY1 Q08828 1/20 0.43
KAT6A Q92794 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
FYN P06241 4/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1E P49674 2/20 0.41
CDK8 P49336 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MAPT P10636 1/20 0.40
CRBN Q96SW2 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL2009206 0.92 GRM5 (0.46) TDP2PIK3CGNR4A2GRM5PDK2
SCHEMBL2034297 0.91 KDM5A (0.44) TDP2PIK3CGNR4A2GRM5PDK2
SCHEMBL2034739 0.90 PIK3CG (0.44) TDP2PIK3CGNR4A2GRM5PDK2
SCHEMBL2034154 0.90 NR4A2 (0.48) TDP2PIK3CGNR4A2GRM5PDK2
SCHEMBL12544269 0.90 KDM5A (0.45) PIK3CGNR4A2GRM5PDK2ADCY8
SCHEMBL2033945 0.90 HDAC6 (0.44) TDP2GRM5PDK2MAPT
SCHEMBL2032150 0.89 NR4A2 (0.58) TDP2PIK3CGNR4A2GRM5KAT6A
SCHEMBL2054018 0.88 PDK2 (0.45) PIK3CGNR4A2GRM5PDK2KDM5A
SCHEMBL2030729 0.88 ERN1 (0.46) TDP2GRM5ADCY8ADCY1KAT6A
SCHEMBL10475895 0.87 FYN (0.54) TDP2GRM5FYNCDK8JAK2

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 8 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
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.