SCHEMBL410634

SCHEMBL410634

COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CNC4)c4ccc(F)cc4)cc3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.58
AXL P30530 10/20 0.58
KDR P35968 4/20 0.58
MERTK Q12866 3/20 0.58
FLT1 P17948 2/20 0.58
AURKB Q96GD4 2/20 0.58
AURKA O14965 1/20 0.58
RIPK2 O43353 1/20 0.58
ABCB11 O95342 1/20 0.58
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
NTRK1 P04629 1/20 0.58
LCK P06239 1/20 0.58
PGR P06401 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58
CHRM2 P08172 1/20 0.58
HCK P08631 1/20 0.58
ADRA2A P08913 1/20 0.58

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
SCHEMBL372017 0.92 MET (0.66) METAXLKDRMERTKFLT1
SCHEMBL29883010 0.92 MET (0.66) METAXLKDRMERTKFLT1
Pyruvate SCHEMBL29195420 0.88 MET (0.61) METAXLKDRMERTKFLT1
SCHEMBL28694985 0.86 MET (0.62) METAXLKDRMERTKFLT1
SCHEMBL31105630 0.86 MET (0.67) METAXLKDRMERTKFLT1
Glutarate SCHEMBL29195414 0.86 MET (0.58) METAXLKDRMERTKFLT1
SCHEMBL21201003 0.85 AXL (0.57) METAXLKDRMERTKFLT1
SCHEMBL22750248 0.85 AXL (0.57) METAXLKDRMERTKFLT1
SCHEMBL29453833 0.85 AXL (0.57) METAXLKDRMERTKFLT1
SCHEMBL16061949 0.84 KDR (0.56) METAXLKDRMERTKFLT1

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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
US-20140155396-A1 C-Met Modulators and Method of Use EXELIXIS, INC. 2014-06-05 US disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-8497284-B2 C-met modulators and method of use EXELIXIS, INC. (US) 2013-07-30 US disclosed
US-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 US disclosed
EP-2392564-A1 c-Met modulators and methods of use Exelixis Inc. (US) 2011-12-07 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-20120022065-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MET 2/4885AXL 241/4885KDR 5/4885
US-20140155396-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MET 2/4885AXL 241/4885KDR 5/4885

“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.