SCHEMBL3380598

SCHEMBL3380598

O=C(O)c1cnc(Nc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.70
GSK3B P49841 2/20 0.56
GSK3A P49840 1/20 0.56
MAPK8 P45983 2/20 0.54
CDC7 O00311 2/20 0.54
AURKA O14965 1/20 0.54
ALK Q9UM73 1/20 0.54
XPO1 O14980 1/20 0.53
ROCK2 O75116 1/20 0.52
MAP4K4 O95819 1/20 0.52
PIM1 P11309 1/20 0.52
PRKACA P17612 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
HIPK2 Q9H2X6 1/20 0.52
IRAK4 Q9NWZ3 1/20 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
SCHEMBL3378853 0.87 CNR2 (0.72) CNR2GSK3BGSK3AMAPK8CDC7
SCHEMBL541360 0.86 CNR2 (0.72) CNR2
SCHEMBL3378595 0.86 CNR2 (0.72) CNR2MAPK8
SCHEMBL3380837 0.84 CNR2 (0.70) CNR2GSK3BGSK3A
SCHEMBL3379861 0.83 HDAC3 (0.54) CNR2MAPK8XPO1
SCHEMBL3382186 0.83 CNR2 (0.59) CNR2XPO1
SCHEMBL3378844 0.83 CNR2 (0.74) CNR2CDC7
SCHEMBL3379016 0.83 CNR2 (0.74) CNR2AURKA
SCHEMBL27694711 0.83 CNR2 (0.72) CNR2AURKAXPO1
SCHEMBL3381215 0.82 CNR2 (0.60) CNR2

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
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 1/4885GSK3B 1465/4885GSK3A 1993/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885GSK3B 1771/4885GSK3A 2308/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885GSK3B 752/4885GSK3A 807/4885

“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.