SCHEMBL5077181

SCHEMBL5077181

CN(Cc1ccccc1)C(=O)c1cnc(Nc2cccc(Br)c2)nc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.69
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
EGFR P00533 1/20 0.46
ITK Q08881 1/20 0.46
ATF1 P18846 1/20 0.45
NFKB1 P19838 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
SCHEMBL5781933 0.90 CNR2 (0.69) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5083384 0.89 CNR2 (0.69) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5779316 0.86 CNR2 (0.71) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5789186 0.85 CNR2 (0.60) CNR2EGFRITK
SCHEMBL5779533 0.85 CNR2 (0.55) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5776710 0.85 CNR2 (0.58) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780255 0.84 CNR2 (0.68) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5080774 0.83 CNR2 (0.56) CNR2EGFRITKATF1NFKB1
SCHEMBL5781324 0.82 CNR2 (0.70) CNR2EGFR
SCHEMBL5077147 0.82 CNR2 (0.55) CNR2CYP1A2CYP2C9CYP2C19ATF1

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 1/4885CYP1A2 1729/4885CYP2C9 1163/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885CYP1A2 1331/4885CYP2C9 2242/4885

“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.