SCHEMBL3380302

SCHEMBL3380302

CSc1c(Nc2ncc(C(=O)O)c(C(F)(F)F)n2)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.47
RXFP1 Q9HBX9 1/20 0.44
DHODH Q02127 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TAS2R14 Q9NYV8 3/20 0.43
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL3380303 0.85 TAS2R14 (0.60) CNR2DHODHHDAC6TAS2R14CDC7
SCHEMBL3382269 0.84 ULK1 (0.53) CNR2DHODHHDAC6TAS2R14CDC7
SCHEMBL4420071 0.80 DHODH (0.45) CNR2RXFP1DHODHHDAC6TAS2R14
SCHEMBL13503377 0.79 CNR2 (0.72) CNR2CYP1A2CYP2C9
SCHEMBL3383333 0.78 CNR2 (0.62) CNR2TAS2R14CDC7CYP1A2CYP2C9
SCHEMBL3382111 0.78 CNR2 (0.53) CNR2TAS2R14CYP1A2CYP2C9
SCHEMBL3381078 0.78 CNR2 (0.59) CNR2DHODHHDAC6TAS2R14CYP1A2
SCHEMBL3378616 0.77 CNR2 (0.62) CNR2TAS2R14CYP1A2CYP2C9
SCHEMBL27694711 0.77 CNR2 (0.72) CNR2HDAC6TAS2R14CYP1A2CYP2C9
SCHEMBL5083042 0.76 CNR2 (0.74) CNR2TAS2R14

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 11 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
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
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
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 1/4885RXFP1 2722/4885DHODH 632/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885RXFP1 2747/4885DHODH 566/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885RXFP1 259/4885DHODH 3625/4885

“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.