SCHEMBL3382305

SCHEMBL3382305

O=C(O)c1cnc(Nc2cc(F)cc(C(F)(F)F)c2)nc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.58
▸ HDAC1 Q13547 4/20 0.58
▸ HDAC2 Q92769 4/20 0.58
▸ HDAC6 Q9UBN7 4/20 0.58
▸ XPO1 O14980 3/20 0.57
▸ CNR2 P34972 10/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ JUN P05412 2/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ ATF1 P18846 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42

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
SCHEMBL3382186 0.92 CNR2 (0.59) HDAC3HDAC1HDAC2HDAC6XPO1
SCHEMBL3379861 0.92 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6XPO1
SCHEMBL3378695 0.87 TAS2R14 (0.55) HDAC3HDAC1HDAC2HDAC6XPO1
SCHEMBL3383280 0.85 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3378853 0.83 CNR2 (0.72) CNR2CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL3381215 0.81 CNR2 (0.60) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3596797 0.79 CNR2 (0.75) XPO1CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL3380598 0.79 CNR2 (0.70) XPO1CNR2
SCHEMBL3382836 0.79 CNR2 (0.74) CNR2CYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL3382664 0.78 CNR2 (0.58) CNR2CYP2D6CYP2C19CYP1A2CYP3A4

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 HDAC3 2645/4885HDAC1 3815/4885HDAC2 2339/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 HDAC3 2919/4885HDAC1 3982/4885HDAC2 2534/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A HDAC3 397/4885HDAC1 920/4885HDAC2 677/4885

“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.

Send feedback