SCHEMBL4793552

SCHEMBL4793552

Cn1cnc2c(Nc3cccc(Cl)c3)ncc(C(=O)O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
CNR1 P21554 3/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CSNK2A2 P19784 5/20 0.47
CSNK2B P67870 5/20 0.47
CSNK2A1 P68400 5/20 0.47
EGFR P00533 2/20 0.47
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL14051367 0.87 EGFR (0.47) CNR2CNR1EGFRCDK1CYP1A2
SCHEMBL4791081 0.86 MAPT (0.54) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL14051372 0.86 CNR2 (0.61) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4873070 0.85 CNR2 (0.61) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL14051213 0.85 CNR2 (0.61) CNR2CNR1CYP3A4CYP2D6CYP2C9
SCHEMBL14051369 0.84 SRC (0.41) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL14051127 0.84 CNR2 (0.59) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4868903 0.84 CNR2 (0.60) CNR2CNR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4793174 0.83 SRC (0.41) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL4793635 0.83 CNR2 (0.74) CNR2CNR1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
US-20080221097-A1 Imidazopyridine Derivatives as Cannabinoid Receptor Ligands GLAXO GROUP LIMITED 2008-09-11 US disclosed
US-20080221097-A1 Imidazopyridine Derivatives as Cannabinoid Receptor Ligands GLAXO GROUP LIMITED 2008-09-11 US disclosed
US-20080221097-A1 Imidazopyridine Derivatives as Cannabinoid Receptor Ligands GLAXO GROUP LIMITED 2008-09-11 US disclosed
EP-1912985-A1 IMIDAZOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-04-23 EP disclosed
WO-2007017237-A1 IMIDAZOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-02-15 WO disclosed
WO-2007017237-A1 IMIDAZOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-02-15 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-20080221097-A1 Imidazopyridine Derivatives as Cannabinoid Receptor Ligands CNR1, CNR2, TRPV1 CNR2 2/4885CNR1 1/4885CYP3A4 856/4885

“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.