SCHEMBL3378595

SCHEMBL3378595

O=C(O)c1cnc(Nc2cccc(Br)c2)nc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.72
KDR P35968 1/20 0.52
CYP2C9 P11712 6/20 0.51
CYP2C19 P33261 6/20 0.51
CYP1A2 P05177 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2D6 P10635 3/20 0.51
MAPK8 P45983 1/20 0.49
MPO P05164 1/20 0.48

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
SCHEMBL5078935 0.87 CNR2 (0.66) CNR2KDRCYP2C9CYP2C19CYP1A2
SCHEMBL3378853 0.87 CNR2 (0.72) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3380598 0.86 CNR2 (0.70) CNR2MAPK8
SCHEMBL541360 0.86 CNR2 (0.72) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5080715 0.84 CNR2 (1.00) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3378695 0.83 TAS2R14 (0.55) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL13069944 0.83 CNR2 (0.60) CNR2KDRCYP2C9CYP2C19CYP1A2
SCHEMBL3379016 0.83 CNR2 (0.74) CNR2CYP1A2
SCHEMBL3378844 0.83 CNR2 (0.74) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL3383169 0.82 CNR2 (0.65) CNR2CYP2C9CYP2C19CYP1A2CYP3A4

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 20 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-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 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-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
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
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
CN-1688552-A Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2005-10-26 CN 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-1539712-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS CB2 MODULATORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
EP-1534687-A1 PYRIMIDINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-01 EP disclosed
WO-2004018434-A1 PYRIMIDINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-03-04 WO 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 (4 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 1/4885KDR 1153/4885CYP2C9 1187/4885
US-20060247261-A1 Pyrimidine compounds CNR2, CNR1, P2RX5 CNR2 1/4885KDR 1571/4885CYP2C9 1163/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885KDR 1123/4885CYP2C9 969/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885KDR 1300/4885CYP2C9 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.