SCHEMBL5079815

SCHEMBL5079815

COC(=O)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.59
CYP1A2 P05177 5/20 0.59
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 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
SCHEMBL3377275 0.87 CNR2 (0.62) CNR2CYP1A2HDAC3HDAC1HDAC2
SCHEMBL4893858 0.85 CNR2 (0.67) CNR2CYP1A2GAAMAPTCYP2C9
SCHEMBL5083067 0.85 GAA (0.57) CNR2CYP1A2GAAMAPTALDH1A1
SCHEMBL5078999 0.83 CNR2 (0.59) CNR2CYP1A2GAAMAPTALDH1A1
SCHEMBL4889039 0.82 CNR2 (0.65) CNR2CYP1A2GAAMAPTCYP2C9
SCHEMBL5079751 0.81 CNR2 (0.57) CNR2CYP1A2GAAMAPTALDH1A1
SCHEMBL3378644 0.81 BRD4 (0.58) CNR2CYP1A2
SCHEMBL3378591 0.81 CNR2 (0.59) CNR2CYP1A2GAAMAPTALDH1A1
SCHEMBL5078935 0.81 CNR2 (0.66) CNR2CYP1A2GAAMAPTCYP2C9
SCHEMBL3379533 0.80 CNR2 (0.52) CNR2CYP1A2CYP2C9CYP2C19CYP3A4

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 CNR2 1/4885CYP1A2 1729/4885GAA 3175/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885CYP1A2 1331/4885GAA 2027/4885

“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.