SCHEMBL5080774

SCHEMBL5080774

CN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)nc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.56
MTOR P42345 1/20 0.47
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
ATF1 P18846 1/20 0.44
NFKB1 P19838 1/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR1 P25103 1/20 0.42
MLYCD O95822 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL5780255 0.89 CNR2 (0.68) CNR2ATF1NFKB1
SCHEMBL5781324 0.88 CNR2 (0.70) CNR2EGFR
SCHEMBL5779395 0.87 CNR2 (0.69) CNR2MTOREGFRITKATF1
SCHEMBL5779533 0.85 CNR2 (0.55) CNR2ATF1NFKB1
SCHEMBL5776710 0.85 CNR2 (0.58) CNR2ATF1NFKB1
SCHEMBL5781933 0.84 CNR2 (0.69) CNR2EGFRITK
SCHEMBL5077181 0.83 CNR2 (0.69) CNR2EGFRITKATF1NFKB1
SCHEMBL5083384 0.83 CNR2 (0.69) CNR2
SCHEMBL5079812 0.82 CNR2 (0.82) CNR2
SCHEMBL5778821 0.82 CNR2 (0.68) CNR2ATF1NFKB1TACR1

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 15 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 claimed
JP-2007520538-A 2007-07-26 JP claimed
EP-1736470-A2 Pyrimidine derivatives as CB2 cannabinoid receptor modulators GLAXO GROUP LIMITED (GB) 2006-12-27 EP claimed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 EP claimed
US-20060247261-A1 Pyrimidine compounds GLAXO GROUP LIMITED (GB) 2006-11-02 US claimed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO claimed
EP-1534687-A1 PYRIMIDINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-01 EP claimed
WO-2004018434-A1 PYRIMIDINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-03-04 WO claimed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1736470-A2 Pyrimidine derivatives as CB2 cannabinoid receptor modulators GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
US-20060247261-A1 Pyrimidine compounds GLAXO GROUP LIMITED (GB) 2006-11-02 US disclosed
EP-1534687-B1 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-09-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060247261-A1 Pyrimidine compounds CNR2, CNR1, P2RX5 CNR2 1/4885MTOR 1335/4885EGFR 1953/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885MTOR 2294/4885EGFR 1355/4885

“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.