SCHEMBL12003753

SCHEMBL12003753

CC(C)(CO)Oc1ccc2c(Oc3ccc(N)cc3F)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.53
AXL P30530 8/20 0.44
KDR P35968 10/20 0.43
FLT4 P35916 1/20 0.43
TEK Q02763 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
IGF1R P08069 2/20 0.42
MST1R Q04912 1/20 0.41

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
SCHEMBL25278842 0.88 MET (0.46) METAXLKDRFLT4TEK
SCHEMBL12004026 0.85 MET (0.53) METAXLKDRFLT4TEK
SCHEMBL20032556 0.83 MET (0.54) METAXLKDRFLT4TEK
SCHEMBL12003860 0.83 MET (0.52) METAXLKDRFLT4TEK
SCHEMBL12004568 0.83 MET (0.53) METAXLKDRFLT4TEK
SCHEMBL29812085 0.82 TRPA1 (0.53) METAXLKDRTEKIGF1R
SCHEMBL199658 0.82 TRPA1 (0.53) METAXLKDRTEKIGF1R
Hydrochloric Acid SCHEMBL14967852 0.81 TRPA1 (0.52) METAXLKDRTEKIGF1R
SCHEMBL15889727 0.77 AXL (0.48) METAXLKDR
SCHEMBL12004357 0.77 MET (0.48) METAXLKDRMERTKMST1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598400-B2 Substituted quinoline compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-03-21 US disclosed
EP-2680886-B1 SUBSTITUTED QUINOLINE COMPOUNDS CALITOR SCIENCES LLC (US) 2016-08-10 EP disclosed
US-20150342945-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-12-03 US disclosed
US-9133162-B2 Substituted quinoline compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-09-15 US disclosed
EP-2680886-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2014-01-08 EP disclosed
WO-2012118632-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE XI NING (US) 2012-09-07 WO disclosed
US-20120219522-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE XI, Dr. Ning (US) 2012-08-30 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-20150342945-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE MKI67, MCL1, NRAS MET 997/4885AXL 1395/4885KDR 577/4885
US-20120219522-A1 SUBSTITUTED QUINOLINE COMPOUNDS AND METHODS OF USE MKI67, MCL1, NRAS MET 997/4885AXL 1395/4885KDR 577/4885

“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.