SCHEMBL3380654

SCHEMBL3380654

O=C(NC1CCC1)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.64
CYP2C19 P33261 8/20 0.64
CYP2C9 P11712 7/20 0.64
CYP3A4 P08684 6/20 0.64
CYP2D6 P10635 5/20 0.64
CYP1A2 P05177 6/20 0.60
ATF1 P18846 2/20 0.54
NFKB1 P19838 2/20 0.54
SELP P16109 4/20 0.52
TYRO3 Q06418 4/20 0.52
CHEK1 O14757 2/20 0.52
IKBKB O14920 2/20 0.52
AURKA O14965 2/20 0.52
MAP4K4 O95819 2/20 0.52
PAK4 O96013 2/20 0.52
CHEK2 O96017 2/20 0.52
ABL1 P00519 2/20 0.52
EGFR P00533 2/20 0.52
INSR P06213 2/20 0.52
LCK P06239 2/20 0.52

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
SCHEMBL3379898 0.98 CNR2 (0.64) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL13503332 0.91 CNR2 (0.57) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL13503393 0.91 CNR2 (0.57) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3383682 0.90 CNR2 (0.75) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL29510131 0.88 CNR2 (0.75) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3379695 0.88 CNR2 (0.75) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3377491 0.87 CNR2 (0.75) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3382659 0.87 CNR2 (0.75) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3382507 0.87 CNR2 (0.66) CNR2CYP2C19CYP2C9CYP3A4CYP2D6
SCHEMBL3378974 0.85 CNR2 (0.74) CNR2CYP2C19CYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 EP claimed
CN-100351239-C Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2007-11-28 CN claimed
EP-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 EP disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 EP disclosed
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 EP disclosed
CN-100351239-C Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2007-11-28 CN disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 US disclosed
CN-1688552-A Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2005-10-26 CN disclosed
EP-1539712-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS CB2 MODULATORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004018433-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS CB2 MODULATORS GLAXO GROUP LIMITED (GB) 2004-03-04 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-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 CNR2 1/4885CYP2C19 810/4885CYP2C9 1187/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885CYP2C19 641/4885CYP2C9 969/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885CYP2C19 1452/4885CYP2C9 2242/4885

“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.