SCHEMBL3382269

SCHEMBL3382269

O=C(O)c1cnc(Nc2cccc(C(F)(F)F)c2F)nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.53
CNR2 P34972 11/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TAS2R14 Q9NYV8 3/20 0.46
LCK P06239 2/20 0.44
MAPK14 Q16539 2/20 0.44
KDR P35968 1/20 0.44
DHODH Q02127 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
FABP4 P15090 1/20 0.43

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
SCHEMBL3383333 0.89 CNR2 (0.62) CNR2CYP1A2CYP2C9TAS2R14CDC7
SCHEMBL3378732 0.87 CNR2 (0.63) CNR2CYP1A2CYP2C9TAS2R14
SCHEMBL3380303 0.87 TAS2R14 (0.60) CNR2CYP1A2TAS2R14LCKMAPK14
SCHEMBL3380302 0.84 CNR2 (0.47) CNR2CYP1A2CYP2C9TAS2R14DHODH
SCHEMBL3414461 0.81 CNR2 (0.51) CNR2CYP1A2CYP2C9TAS2R14HDAC6
SCHEMBL3378616 0.81 CNR2 (0.62) CNR2CYP1A2CYP2C9TAS2R14
SCHEMBL27694711 0.81 CNR2 (0.72) ULK1CNR2CYP1A2CYP2C9TAS2R14
SCHEMBL3382346 0.80 CNR2 (0.72) CNR2CYP1A2CYP2C9
SCHEMBL3382111 0.79 CNR2 (0.53) CNR2CYP1A2CYP2C9TAS2R14
SCHEMBL3381078 0.79 CNR2 (0.59) CNR2CYP1A2CYP2C9TAS2R14DHODH

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 ULK1 852/4885CNR2 1/4885CYP1A2 1273/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 ULK1 651/4885CNR2 1/4885CYP1A2 1165/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A ULK1 2049/4885CNR2 1/4885CYP1A2 1331/4885

“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.