SCHEMBL3383199

SCHEMBL3383199

O=C(O)c1cnc(Nc2ccc(Br)cc2F)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAP2K1 Q02750 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
MPO P05164 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3380540 0.88 CNR2 (0.49) CNR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3382226 0.88 CNR2 (0.62) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3380757 0.87 CNR2 (0.53) CNR2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3379651 0.87 CNR2 (0.51) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3379517 0.86 CNR2 (0.63) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL3382613 0.81 CNR2 (0.51) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL3382841 0.80 CNR2 (0.71) CNR2MAP2K1CYP1A2CYP3A4CYP2C9
SCHEMBL3414461 0.80 CNR2 (0.51) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3378595 0.80 CNR2 (0.72) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3380705 0.80 CNR2 (0.62) CNR2CYP1A2CYP3A4CYP2C9CYP2D6

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 14 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-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-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 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
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 1/4885MEN1 4872/4885KMT2A 3130/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885MEN1 4865/4885KMT2A 3136/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885MEN1 3868/4885KMT2A 2846/4885

“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.