SCHEMBL371517

SCHEMBL371517

COc1cc2nccc(Oc3ccc(N(Cc4ccccc4)C(=O)O)cc3)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 7/20 0.62
KDR P35968 3/20 0.62
MET P08581 8/20 0.60
KIT P10721 3/20 0.59
FGFR2 P21802 2/20 0.59
AXL P30530 1/20 0.57
PDGFRB P09619 1/20 0.55

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
SCHEMBL5825958 0.94 PDGFRA (0.62) PDGFRAKDRMETKITFGFR2
SCHEMBL5825336 0.93 PDGFRA (0.59) PDGFRAKDRMETKITFGFR2
SCHEMBL5826044 0.93 PDGFRA (0.56) PDGFRAKDRMETKITFGFR2
SCHEMBL5825584 0.92 PDGFRA (0.59) PDGFRAKDRMETKITFGFR2
SCHEMBL5825951 0.92 PDGFRA (0.63) PDGFRAKDRKITFGFR2PDGFRB
SCHEMBL5826016 0.92 PDGFRA (0.59) PDGFRAKDRMETKITFGFR2
SCHEMBL5825831 0.91 KDR (0.60) PDGFRAKDRMETKITFGFR2
SCHEMBL5826050 0.91 PDGFRA (0.59) PDGFRAKDRMETKITFGFR2
SCHEMBL5825647 0.91 KDR (0.64) PDGFRAKDRMETKITFGFR2
SCHEMBL371654 0.91 PDGFRA (0.59) PDGFRAKDRMETKITFGFR2

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 15 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-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 US claimed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 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-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 US disclosed
EP-2409704-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2012-01-25 EP disclosed
US-8067436-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2011-11-29 US disclosed
EP-1673085-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2011-11-09 EP disclosed
EP-2210607-B1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer EXELIXIS INC (US) 2011-08-17 EP disclosed
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 US disclosed
EP-2213661-A1 c-Met Modulators and Methods of Use Exelixis Inc. (US) 2010-08-04 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 (3 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 PDGFRA 182/4885KDR 5/4885MET 2/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K PDGFRA 2234/4885KDR 3082/4885MET 2641/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 PDGFRA 182/4885KDR 5/4885MET 2/4885

“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.