SCHEMBL4401355

SCHEMBL4401355

COc1cc2c(Oc3ccc(N=O)cc3F)ccnc2cc1OCC1CC2CNCC2C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.49
KDR P35968 4/20 0.49
FLT3 P36888 4/20 0.48
EPHA2 P29317 1/20 0.46
EPHB4 P54760 1/20 0.46
AXL P30530 2/20 0.44
FGFR2 P21802 1/20 0.44
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43

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
SCHEMBL4407992 0.89 MET (0.50) METKDRFLT3EPHA2EPHB4
SCHEMBL13787630 0.89 SRC (0.50) METKDRFLT3EPHA2EPHB4
SCHEMBL14313726 0.88 MET (0.58) METKDRFLT3FGFR2
SCHEMBL372055 0.86 MET (0.47) METKDRFLT3EPHA2EPHB4
SCHEMBL14313711 0.83 MET (0.60) METKDRFLT3EPHA2EPHB4
SCHEMBL13955465 0.83 FGFR2 (0.58) METKDRFLT3AXLFGFR2
SCHEMBL4402150 0.81 MET (0.47) METKDREPHA2EPHB4
SCHEMBL13955466 0.77 MET (0.57) METKDRAXL
SCHEMBL13955464 0.77 MET (0.57) METKDRAXL
SCHEMBL13787635 0.77 KDR (0.52) METKDRFLT3EPHA2EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184523-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-07-19 US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
US-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 US 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
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 US disclosed
US-7579473-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) 2009-08-25 US disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
US-20080161305-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. (US) 2008-07-03 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 (6 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 2/4885KDR 5/4885FLT3 7/4885
US-20080161305-A1 C-Met Modulators and Methods of Use MET, HGFAC, HGF MET 1/4885KDR 32/4885FLT3 149/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 MET 2/4885KDR 5/4885FLT3 7/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 MET 2/4885KDR 5/4885FLT3 7/4885
US-20120184523-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MET 2/4885KDR 5/4885FLT3 7/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 MET 2/4885KDR 5/4885FLT3 7/4885

“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.