SCHEMBL13896124

SCHEMBL13896124

COc1cc2c(Oc3ccc(C)cc3F)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.82
FLT3 P36888 4/20 0.74
MET P08581 14/20 0.68
EGFR P00533 3/20 0.66
MST1R Q04912 3/20 0.66
SRC P12931 2/20 0.66
AURKA O14965 2/20 0.66
LCK P06239 2/20 0.66
CSF1R P07333 2/20 0.66
RPS6KB1 P23443 2/20 0.66
FLT4 P35916 2/20 0.66
KDR P35968 2/20 0.66
TEK Q02763 2/20 0.66
BTK Q06187 2/20 0.66
PLK4 O00444 1/20 0.66
STK25 O00506 1/20 0.66
CIT O14578 1/20 0.66
CHUK O15111 1/20 0.66
MUSK O15146 1/20 0.66
EPHB6 O15197 1/20 0.66

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
SCHEMBL14289180 0.90 AXL (1.00) AXLFLT3METEGFRMST1R
SCHEMBL4059389 0.90 AXL (0.81) AXLFLT3METEGFRMST1R
SCHEMBL166239 0.90 AXL (1.00) AXLFLT3METEGFRMST1R
SCHEMBL30000966 0.90 AXL (1.00) AXLFLT3METEGFRMST1R
SCHEMBL16070034 0.89 AXL (0.66) AXLFLT3METEGFRMST1R
SCHEMBL16069960 0.89 AXL (0.79) AXLFLT3METEGFRMST1R
SCHEMBL14320219 0.89 AXL (0.79) AXLFLT3METEGFRMST1R
SCHEMBL15277712 0.89 AXL (0.79) AXLFLT3METEGFRMST1R
SCHEMBL19372835 0.88 AXL (0.64) AXLFLT3METEGFRMST1R
SCHEMBL6431273 0.87 AXL (0.73) AXLFLT3METEGFRMST1R

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
WO-2017029362-A1 ASYMMETRIC BISAMIDATION OF MALONIC ESTER DERIVATIVES SANDOZ AG (CH) 2017-02-23 WO disclosed
US-20140186407-A9 C-Met Modulator Pharmaceutical Compositions EXELIXIS INC. (US) 2014-07-03 US disclosed
US-20140186407-A9 C-Met Modulator Pharmaceutical Compositions EXELIXIS INC. (US) 2014-07-03 US disclosed
EP-2392564-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2013-10-23 EP disclosed
US-20130197230-A1 METHODS OF PREPARING QUINOLINE DERIVATIVES EXELIXIS, INC. 2013-08-01 US disclosed
WO-2013059788-A1 PROCESS FOR PREPARING QUINOLINE DERIVATIVES EXELIXIS, INC. (US) 2013-04-25 WO disclosed
US-20130030172-A1 Methods of Preparing Quinoline Derivatives EXELIXIS, INC. (US) 2013-01-31 US disclosed
US-8314232-B2 Preparation of a quinolinyloxydiphenylcyclopropanedicarboxamide GLAXOSMITHKLINE LLC (US) 2012-11-20 US disclosed
US-8314232-B2 Preparation of a quinolinyloxydiphenylcyclopropanedicarboxamide GLAXOSMITHKLINE LLC (US) 2012-11-20 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 (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-20130197230-A1 METHODS OF PREPARING QUINOLINE DERIVATIVES F12, RECQL, H1-2 AXL 3708/4885FLT3 210/4885MET 3697/4885
US-20130030172-A1 Methods of Preparing Quinoline Derivatives F12, RECQL, H1-2 AXL 3482/4885FLT3 185/4885MET 3338/4885
US-20140186407-A9 C-Met Modulator Pharmaceutical Compositions MET, HGFAC, HGF AXL 1864/4885FLT3 218/4885MET 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.