SCHEMBL5079764

SCHEMBL5079764

CCOC(=O)c1ccc(Nc2cccc(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 1/20 0.53
P2RY12 Q9H244 1/20 0.52
CNR2 P34972 11/20 0.47
TRPV1 Q8NER1 1/20 0.47
EGFR P00533 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 2/20 0.45

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
SCHEMBL14491631 0.83 CNR2 (0.52) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL5079710 0.82 CNR2 (0.51) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5079702 0.82 MAPT (0.53) MAPTKDM4EALDH1A1CNR2TRPV1
SCHEMBL5457653 0.78 CNR2 (0.74) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5083420 0.76 CNR2 (0.75) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL25287345 0.76 TRPV1 (0.57) MAPTKDM4EALDH1A1TRPV1EGFR
SCHEMBL5212134 0.76 CNR2 (0.75) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5214314 0.76 CNR2 (0.75) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL11647269 0.75 MAPT (0.58) MAPTKDM4EALDH1A1TRPV1L3MBTL1
SCHEMBL474055 0.75 KDM4E (0.57) MAPTKDM4EALDH1A1P2RY12CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2006-10-26 US disclosed
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 EP disclosed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
EP-1562907-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004029026-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 WO disclosed
WO-2004029027-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 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 (3 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-20070129367-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 MAPT 2377/4885KDM4E 2124/4885ALDH1A1 3644/4885
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 MAPT 2377/4885KDM4E 2124/4885ALDH1A1 3644/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A MAPT 3180/4885KDM4E 1501/4885ALDH1A1 3032/4885

“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.