SCHEMBL5077116

SCHEMBL5077116

COc1ccccc1Nc1ncc(C(=O)OCc2ccccc2)c(C(F)(F)F)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.73
▸ RAB9A P51151 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ SIRT5 Q9NXA8 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PTK2 Q05397 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ NTRK3 Q16288 1/20 0.45
▸ NTRK2 Q16620 1/20 0.45
▸ EGFR P00533 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
SCHEMBL5083042 0.85 CNR2 (0.74) CNR2RAB9AALDH1A1PTK2JAK2
SCHEMBL5083133 0.84 CNR2 (1.00) CNR2RAB9AMAPTNPSR1
SCHEMBL5780970 0.83 CNR2 (0.70) CNR2RAB9AALDH1A1MAPTNPSR1
SCHEMBL656729 0.81 CNR2 (0.62) CNR2RAB9AALDH1A1MAPTALOX15
SCHEMBL13069667 0.80 CNR2 (0.58) CNR2SIRT5JAK3EGFR
SCHEMBL5790445 0.78 CNR2 (0.75) CNR2RAB9AMAPTNPSR1PTK2
SCHEMBL3381334 0.78 CNR2 (0.72) CNR2
SCHEMBL5077163 0.78 CNR2 (0.72) CNR2MAPTGSK3B
SCHEMBL3383060 0.75 XPO1 (0.57) CNR2ALDH1A1
SCHEMBL16995419 0.75 PTK2 (0.53) PTK2

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 1/4885RAB9A 2319/4885ALDH1A1 3083/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A CNR2 1/4885RAB9A 2120/4885ALDH1A1 3032/4885

“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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