SCHEMBL4279486

SCHEMBL4279486

CC(C)(C)OC(=O)n1ccc2cc(Oc3ccnc(Cl)n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.42
PIK3CD O00329 2/20 0.42
ABL1 P00519 2/20 0.42
EGFR P00533 2/20 0.42
HCK P08631 2/20 0.42
SRC P12931 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
MTOR P42345 2/20 0.42
PIK3CG P48736 2/20 0.42
EPHB4 P54760 2/20 0.42
PRKDC P78527 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KCNH2 Q12809 2/20 0.37
TUBB1 Q9H4B7 1/20 0.35
NR1H2 P55055 1/20 0.34
TNK2 Q07912 1/20 0.34

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
SCHEMBL2798727 0.84 PLAAT3 (0.39) KDRKCNH2TUBB1
SCHEMBL4283759 0.83 KDR (0.42) KDRPIK3CDABL1EGFRHCK
SCHEMBL13805463 0.82 KDR (0.52) KDR
SCHEMBL13805470 0.82 ROCK2 (0.43) KDREGFRKCNH2
SCHEMBL21100830 0.79 EGFR (0.41) KDRPIK3CDABL1EGFRHCK
SCHEMBL4279357 0.79 KDR (0.48) KDR
SCHEMBL4284938 0.77 KDM4C (0.43) KDRPIK3CB
SCHEMBL30230816 0.77 TUBB1 (0.55) KDRPIK3CDABL1EGFRHCK
SCHEMBL2266733 0.77 TUBB1 (0.55) KDRPIK3CDABL1EGFRHCK
SCHEMBL3992829 0.77 KDR (0.42) KDRPIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
EP-1934200-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-06-25 EP disclosed
WO-2007035309-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-03-29 WO disclosed
WO-2007035309-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-03-29 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-20090149467-A1 Tyrosine Kinase Inhibitors ABL1, MET, ERBB2 KDR 165/4885PIK3CD 365/4885ABL1 1/4885

“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.