SCHEMBL3383280

SCHEMBL3383280

COc1cc(Nc2ncc(C(=O)O)c(C(F)(F)F)n2)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.62
▸ HDAC1 Q13547 3/20 0.62
▸ HDAC2 Q92769 3/20 0.62
▸ HDAC6 Q9UBN7 3/20 0.62
▸ CNR2 P34972 6/20 0.56
▸ SRC P12931 3/20 0.50
▸ ZAP70 P43403 3/20 0.50
▸ SYK P43405 3/20 0.50
▸ NFKB1 P19838 2/20 0.49
▸ ATF1 P18846 1/20 0.49
▸ JAK2 O60674 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ CDK2 P24941 3/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ STK16 O75716 1/20 0.45

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
SCHEMBL3379861 0.89 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3379016 0.85 CNR2 (0.74) CNR2SYK
SCHEMBL3382305 0.85 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3378695 0.84 TAS2R14 (0.55) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3592990 0.80 CNR2 (0.65) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3382186 0.79 CNR2 (0.59) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL13503375 0.79 CNR2 (0.73) CNR2CYP3A4
SCHEMBL3381215 0.78 CNR2 (0.60) HDAC3HDAC1HDAC2HDAC6CNR2
SCHEMBL3378644 0.77 BRD4 (0.58) CNR2SYK
SCHEMBL8739793 0.77 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6

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 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.

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