SCHEMBL5083067

SCHEMBL5083067

COC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
CNR2 P34972 14/20 0.57
CYP2C9 P11712 6/20 0.57
CYP2C19 P33261 6/20 0.57
CYP3A4 P08684 5/20 0.57
CYP2D6 P10635 3/20 0.57
ATF1 P18846 2/20 0.54
NFKB1 P19838 2/20 0.54
MAPT P10636 2/20 0.53
CYP1A2 P05177 4/20 0.49
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4893858 0.89 CNR2 (0.67) GAACNR2CYP2C9CYP2C19CYP3A4
SCHEMBL3381215 0.86 CNR2 (0.60) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL5079815 0.85 CNR2 (0.59) GAACNR2CYP2C9CYP2C19CYP3A4
SCHEMBL6062142 0.82 CNR2 (0.56) CNR2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3378591 0.81 CNR2 (0.59) GAACNR2CYP2C9CYP3A4MAPT
SCHEMBL5078999 0.81 CNR2 (0.59) GAACNR2CYP2C9CYP2C19CYP3A4
SCHEMBL473934 0.80 ATF1 (0.62) GAAATF1NFKB1MAPTALDH1A1
SCHEMBL4889039 0.80 CNR2 (0.65) GAACNR2CYP2C9CYP2C19CYP3A4
SCHEMBL5079751 0.80 CNR2 (0.57) GAACNR2CYP2C9MAPTCYP1A2
SCHEMBL5078935 0.79 CNR2 (0.66) GAACNR2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 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
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
EP-1534687-A1 PYRIMIDINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-01 EP disclosed
WO-2004018434-A1 PYRIMIDINE COMPOUNDS 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 (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 GAA 3175/4885CNR2 1/4885CYP2C9 1163/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A GAA 2027/4885CNR2 1/4885CYP2C9 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.