SCHEMBL5079708

SCHEMBL5079708

CN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(Cl)c2Cl)nc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.59
ATF1 P18846 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSP90AA1 P07900 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
SCHEMBL5778821 0.93 CNR2 (0.68) CNR2ATF1NFKB1CYP1A2CYP2C9
SCHEMBL5077147 0.90 CNR2 (0.55) CNR2ATF1NFKB1CYP1A2CYP2C9
SCHEMBL5780552 0.86 CNR2 (0.56) CNR2ATF1NFKB1CYP1A2CYP2C9
SCHEMBL5782167 0.86 CNR2 (0.56) CNR2ATF1NFKB1CYP1A2CYP2C9
SCHEMBL5791509 0.85 CNR2 (0.51) CNR2CYP1A2CYP2C9
SCHEMBL5780970 0.84 CNR2 (0.70) CNR2ATF1NFKB1
SCHEMBL5780255 0.84 CNR2 (0.68) CNR2ATF1NFKB1CYP1A2CYP2C9
SCHEMBL5083384 0.83 CNR2 (0.69) CNR2CYP1A2CYP2C9
SCHEMBL5779533 0.83 CNR2 (0.55) CNR2ATF1NFKB1CYP1A2CYP2C9
SCHEMBL5776710 0.83 CNR2 (0.58) CNR2ATF1NFKB1CYP1A2CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534687-B1 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-09-27 EP claimed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1736470-A2 Pyrimidine derivatives as CB2 cannabinoid receptor modulators GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
US-20060247261-A1 Pyrimidine compounds GLAXO GROUP LIMITED (GB) 2006-11-02 US disclosed
EP-1534687-B1 2-PHENYLAMINO-4-TRIFLUOROMETHYL-5-(BENZYL- OR PYRIDIN-4-YLMETHYL)CARBAMOYLPYRIMIDINE DERIVATIVES AS SELECTIVE CB2 CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-09-27 EP 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-20060247261-A1 Pyrimidine compounds CNR2, CNR1, P2RX5 CNR2 1/4885ATF1 1888/4885NFKB1 2047/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885ATF1 225/4885NFKB1 2991/4885

“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.