SCHEMBL5196177

SCHEMBL5196177

COc1cc(OC)c(-c2nc(-c3ccncc3)c(-c3ccc(Cl)cc3)[nH]2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 13/20 0.64
MAPK12 P53778 13/20 0.64
MAPK11 Q15759 13/20 0.64
MAPK14 Q16539 13/20 0.64
GCGR P47871 12/20 0.64
TEK Q02763 3/20 0.61
RAF1 P04049 4/20 0.58
ALOX5 P09917 1/20 0.57
SMPD3 Q9NY59 1/20 0.52

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
SCHEMBL19868853 0.88 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6469323 0.85 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6164173 0.85 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6469680 0.84 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL8388860 0.84 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL8792345 0.83 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6467858 0.82 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6466475 0.81 NOX1 (0.71) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL17002224 0.81 MAPK14 (0.67) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6468726 0.81 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
EP-1340756-B1 NOVEL BETA-LACTAM COMPOUNDS AND PROCESS FOR PRODUCING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-10 EP disclosed
US-7163936-B2 β-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-01-16 US disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 US disclosed
US-20040102433-A1 Novel beta-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-05-27 US disclosed
EP-1340756-A1 NOVEL BETA-LACTAM COMPOUNDS AND PROECSS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-09-03 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-20040102433-A1 Novel beta-lactam compounds and process for producing the same MRPL21, MCRS1, RPS4X MAPK13 3112/4885MAPK12 2419/4885MAPK11 1514/4885
US-20060173048-A1 Imidazole derivatives GRM2, GRM1, GRIN2C MAPK13 2722/4885MAPK12 2936/4885MAPK11 2098/4885

“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.