SCHEMBL2015314

SCHEMBL2015314

CNC(=O)c1cccc(-c2ccn3nc(-c4ccc(C#N)cc4)cc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.47
KAT6A Q92794 2/20 0.47
GRM5 P41594 1/20 0.45
PIK3CG P48736 1/20 0.43
NR4A2 P43354 1/20 0.43
TEK Q02763 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
FYN P06241 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
SCN9A Q15858 2/20 0.40
PLAU P00749 1/20 0.40
TNIK Q9UKE5 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
SCHEMBL31288890 0.89 EGLN2 (0.47) PHGDHKAT6AGRM5EGLN2SCN9A
SCHEMBL2034154 0.87 NR4A2 (0.48) PHGDHGRM5PIK3CGNR4A2FYN
SCHEMBL2029037 0.86 TDP2 (0.45) KAT6AGRM5PIK3CGNR4A2FYN
SCHEMBL2032150 0.86 NR4A2 (0.58) KAT6AGRM5PIK3CGNR4A2FYN
SCHEMBL12543987 0.84 ALDH1A1 (0.50) PHGDHKAT6APIK3CGNR4A2FYN
SCHEMBL15135308 0.84 PIK3CG (0.45) GRM5PIK3CGNR4A2TEKFYN
SCHEMBL2054018 0.83 PDK2 (0.45) PHGDHGRM5PIK3CGNR4A2TEK
SCHEMBL2034739 0.83 PIK3CG (0.44) GRM5PIK3CGNR4A2FYNKDM5A
SCHEMBL2009206 0.83 GRM5 (0.46) KAT6AGRM5PIK3CGNR4A2FYN
SCHEMBL2034297 0.82 KDM5A (0.44) KAT6AGRM5PIK3CGNR4A2FYN

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 PHGDH 4067/4885KAT6A 893/4885GRM5 1292/4885

“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.