SCHEMBL2034154

SCHEMBL2034154

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.48
PIK3CG P48736 1/20 0.46
GRM5 P41594 2/20 0.43
PHGDH O43175 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
FYN P06241 4/20 0.42
CDK8 P49336 1/20 0.41
PDK2 Q15119 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CRBN Q96SW2 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 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
SCHEMBL15135308 0.90 PIK3CG (0.45) NR4A2PIK3CGGRM5KDM5AKDM4C
SCHEMBL2029037 0.90 TDP2 (0.45) NR4A2PIK3CGGRM5KDM5AKDM4C
SCHEMBL2032150 0.90 NR4A2 (0.58) NR4A2PIK3CGGRM5KDM5AKDM4C
SCHEMBL12543774 0.90 NR4A2 (0.47) NR4A2PIK3CGGRM5PHGDHKDM5A
SCHEMBL12543987 0.88 ALDH1A1 (0.50) NR4A2PIK3CGPHGDHALDH1A1KDM4E
SCHEMBL2015314 0.87 PHGDH (0.47) NR4A2PIK3CGGRM5PHGDHKDM5A
SCHEMBL2054018 0.87 PDK2 (0.45) NR4A2PIK3CGGRM5PHGDHKDM5A
SCHEMBL2034739 0.87 PIK3CG (0.44) NR4A2PIK3CGGRM5KDM5AKDM4C
SCHEMBL2009206 0.86 GRM5 (0.46) NR4A2PIK3CGGRM5KDM5AKDM4C
SCHEMBL2034297 0.85 KDM5A (0.44) NR4A2PIK3CGGRM5KDM5AKDM4C

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 NR4A2 3/4885PIK3CG 4644/4885GRM5 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.