SCHEMBL12543774

SCHEMBL12543774

CNC(=O)c1cccc(-c2cc3cc(-c4ccc(C)cc4)nn3cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
FYN P06241 4/20 0.45
PIK3CG P48736 1/20 0.44
GRM5 P41594 2/20 0.44
PHGDH O43175 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
BAZ2B Q9UIF8 1/20 0.43
LMNA P02545 1/20 0.43
CDK8 P49336 1/20 0.42
MAP4K4 O95819 1/20 0.42
ATM Q13315 1/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL12543908 0.90 KDM5A (0.45) NR4A2KDM5AKDM4CKDM5BFYN
SCHEMBL2034154 0.90 NR4A2 (0.48) NR4A2KDM5AKDM4CKDM5BFYN
SCHEMBL12544269 0.90 KDM5A (0.45) NR4A2KDM5AKDM4CKDM5BFYN
SCHEMBL12543479 0.90 NR4A2 (0.56) NR4A2KDM5AKDM4CKDM5BFYN
SCHEMBL12544535 0.88 ALDH1A1 (0.48) KDM5AKDM4CKDM5BFYNPHGDH
SCHEMBL12544353 0.86 KDM5A (0.44) NR4A2KDM5AKDM4CKDM5BFYN
SCHEMBL12544278 0.85 KDM4C (0.47) NR4A2KDM5AKDM4CKDM5BFYN
SCHEMBL12543852 0.84 ABL1 (0.60) KDM5AKDM4CKDM5BKDM4EMAPT
SCHEMBL12543974 0.81 KAT6A (0.46) KDM5AKDM4CKDM5BFYNPIK3CG
SCHEMBL2029037 0.80 TDP2 (0.45) NR4A2KDM5AKDM4CKDM5BFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245164-A1 DIPHENYL-PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-09-27 US claimed

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 3/4885KDM5A 4180/4885KDM4C 2871/4885

“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.