SCHEMBL3414461

SCHEMBL3414461

O=C(O)c1cnc(Nc2ccc(F)cc2C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.51
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK3 P27361 1/20 0.41
MPO P05164 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
CDC7 O00311 2/20 0.41
DAPK3 O43293 2/20 0.41
PIM1 P11309 2/20 0.41
CDK2 P24941 2/20 0.41
FLT3 P36888 2/20 0.41
GSK3B P49841 2/20 0.41
CDK9 P50750 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
MELK Q14680 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41

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
SCHEMBL3382226 0.89 CNR2 (0.62) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL3381136 0.87 CNR2 (0.52) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL3380540 0.87 CNR2 (0.49) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3377973 0.87 CNR2 (0.63) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL27634185 0.85 CNR2 (0.54) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL3379651 0.81 CNR2 (0.51) CNR2CYP1A2CYP3A4CYP2C9MPO
SCHEMBL3382269 0.81 ULK1 (0.53) CNR2CYP1A2CYP2C9TAS2R14CDC7
SCHEMBL3379517 0.80 CNR2 (0.63) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL3383199 0.80 CNR2 (0.50) CNR2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL3378956 0.80 CNR2 (0.72) 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 6 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
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 EP disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 US 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 (2 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 1/4885CYP1A2 1273/4885CYP3A4 2031/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885CYP1A2 1165/4885CYP3A4 1711/4885

“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.