SCHEMBL2763261

SCHEMBL2763261

CC(O)CCNc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.68
RAF1 P04049 6/20 0.57
BRAF P15056 6/20 0.54
CDK8 P49336 3/20 0.54
MAPK14 Q16539 2/20 0.54
TNNI3K Q59H18 2/20 0.54
MEN1 O00255 1/20 0.54
PLK4 O00444 1/20 0.54
CIT O14578 1/20 0.54
AURKA O14965 1/20 0.54
MUSK O15146 1/20 0.54
EPHB6 O15197 1/20 0.54
MAPK13 O15264 1/20 0.54
MLNR O43193 1/20 0.54
MAP3K7 O43318 1/20 0.54
RIPK2 O43353 1/20 0.54
DYRK3 O43781 1/20 0.54
PDE6D O43924 1/20 0.54
NR1I2 O75469 1/20 0.54
STK10 O94804 1/20 0.54

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
SCHEMBL2762477 0.92 KDR (0.71) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2762476 0.92 KDR (0.71) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2762934 0.92 KDR (0.71) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2763004 0.89 KDR (0.70) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2762478 0.87 KDR (0.68) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2763105 0.86 KDR (0.67) KDRRAF1BRAFRETPDGFRB
SCHEMBL2763023 0.85 KDR (0.68) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2762641 0.85 KDR (0.68) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2785520 0.85 KDR (0.67) KDRRAF1BRAFCDK8MAPK14
SCHEMBL2782514 0.85 KDR (0.67) KDRRAF1BRAFCDK8MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080552-B2 Pyrimidyl derivatives as protein kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-12-20 US claimed
EP-2102173-B1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-10-20 EP claimed
US-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-02-18 US claimed
EP-2102173-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP claimed
WO-2008077548-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO claimed
US-8080552-B2 Pyrimidyl derivatives as protein kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-12-20 US disclosed
EP-2102173-B1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
EP-2102173-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008077548-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 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 (1 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-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 KDR 1270/4885RAF1 210/4885BRAF 47/4885

“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.