SCHEMBL2198668

SCHEMBL2198668

O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(Oc3ncnc4c3cnn4C3CCCCO3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 5/20 0.53
MET P08581 13/20 0.51
AXL P30530 4/20 0.51
KDR P35968 2/20 0.46
FLT3 P36888 4/20 0.43
AURKA O14965 1/20 0.42
RIPK2 O43353 1/20 0.42
ABCB11 O95342 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
PGR P06401 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
CHRM2 P08172 1/20 0.42
HCK P08631 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL1789417 0.85 MERTK (0.47) MERTKMETAXLKDR
SCHEMBL2198672 0.83 CYP3A4 (0.37) MERTKMETAXLKDRFLT3
SCHEMBL2200593 0.78 CYP3A4 (0.42) FLT3ABL1BCRDRD1
SCHEMBL5107190 0.76 MET (0.40) MERTKMETAXLFLT3NTRK1
SCHEMBL12424231 0.75 AXL (0.50) MERTKMETAXLKDRFLT3
SCHEMBL1790658 0.75 MERTK (0.47) MERTKMETKDRFLT3KIT
SCHEMBL1128399 0.75 CYP3A4 (0.59) FLT3DRD1
SCHEMBL21219874 0.75 MERTK (0.58) MERTKMETAXLKDRFLT3
SCHEMBL30466546 0.75 MERTK (0.58) MERTKMETAXLKDRFLT3
SCHEMBL1791792 0.74 FLT3 (0.77) MERTKMETKDRFLT3KIT

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 13 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 claimed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP 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-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977345-B2 c-MET modulators and method of use EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US 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-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS MERTK 1576/4885MET 312/4885AXL 769/4885
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, KDR MERTK 14/4885MET 2/4885AXL 73/4885

“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.