SCHEMBL18506563

SCHEMBL18506563

Cn1ncc2cc(Oc3ccc(NC(=O)c4ccc(CO)n(-c5ccc(F)cc5)c4=O)cc3F)c(-c3cn[nH]c3)cc21

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 17/20 0.86
MET P08581 10/20 0.86
MERTK Q12866 2/20 0.86
PLK4 O00444 1/20 0.86
NTRK1 P04629 1/20 0.86
RET P07949 1/20 0.86
KDR P35968 1/20 0.86
FLT3 P36888 1/20 0.86
MST1R Q04912 1/20 0.86
DDR1 Q08345 1/20 0.86
CAMK4 Q16566 1/20 0.86
DDR2 Q16832 1/20 0.86
MKNK1 Q9BUB5 1/20 0.86
MKNK2 Q9HBH9 1/20 0.86
TYRO3 Q06418 1/20 0.45

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
SCHEMBL23629546 0.95 AXL (0.86) AXLMETMERTKPLK4NTRK1
Merestinib SCHEMBL29493094 0.92 AXL (1.00) AXLMETMERTKPLK4NTRK1
Merestinib SCHEMBL679002 0.92 AXL (1.00) AXLMETMERTKPLK4NTRK1
Merestinib SCHEMBL680728 0.92 AXL (0.99) AXLMETMERTKPLK4NTRK1
Merestinib SCHEMBL29726013 0.92 AXL (0.99) AXLMETMERTKPLK4NTRK1
SCHEMBL23629471 0.92 AXL (0.88) AXLMETMERTKPLK4NTRK1
SCHEMBL23629478 0.91 AXL (0.87) AXLMETMERTKPLK4NTRK1
SCHEMBL23629434 0.91 AXL (0.87) AXLMETMERTKPLK4NTRK1
SCHEMBL23629476 0.91 AXL (0.86) AXLMETMERTKPLK4NTRK1
SCHEMBL23629405 0.91 AXL (0.86) AXLMETMERTKPLK4NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190336599-A1 COMBINATION OF RAMUCIRUMAB AND MERESTINIB FOR USE IN TREATMENT OF COLORECTAL CANCER ELI LILLY AND COMPANY (US) 2019-11-07 US disclosed
US-20180207268-A1 COMBINATION THERAPY FOR CANCER IMCLONE LLC (US) 2018-07-26 US disclosed
US-20180207268-A1 COMBINATION THERAPY FOR CANCER IMCLONE LLC (US) 2018-07-26 US disclosed
WO-2017027544-A1 COMBINATION THERAPY FOR CANCER IMCLONE LLC (US) 2017-02-16 WO 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-20180207268-A1 COMBINATION THERAPY FOR CANCER FLT4, KDR, TEK AXL 68/4885MET 9/4885MERTK 58/4885
US-20190336599-A1 COMBINATION OF RAMUCIRUMAB AND MERESTINIB FOR USE IN TREATMENT OF COLORECTAL CANCER KDR, FLT4, FLT1 AXL 38/4885MET 5/4885MERTK 33/4885

“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.