SCHEMBL168542

SCHEMBL168542

COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)cc4OC)cc3F)ccnc2cc1OCC1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.63
AXL P30530 5/20 0.63
AURKA O14965 1/20 0.61
ABL1 P00519 1/20 0.61
LCK P06239 1/20 0.61
SRC P12931 1/20 0.61
FER P16591 1/20 0.61
CDK8 P49336 1/20 0.61
TYRO3 Q06418 1/20 0.61
MERTK Q12866 1/20 0.61
MAP2K5 Q13163 1/20 0.61
AURKB Q96GD4 1/20 0.61
KIT P10721 1/20 0.56
PDGFRA P16234 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56

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
SCHEMBL698532 0.99 MET (0.63) METAXLAURKAABL1LCK
SCHEMBL168147 0.95 MET (0.59) METAXLAURKAABL1LCK
SCHEMBL167643 0.94 MET (0.61) METAXLAURKAABL1LCK
SCHEMBL167961 0.94 MET (0.68) METAXLAURKAABL1LCK
SCHEMBL15425895 0.91 MET (0.66) METAXLKITPDGFRAKDR
SCHEMBL15425903 0.91 MET (0.75) METAXLAURKAABL1LCK
SCHEMBL167875 0.89 MET (0.72) METAXLAURKAABL1LCK
Trifluoroacetic Acid SCHEMBL169050 0.89 MET (0.63) METAXLKITPDGFRAKDR
SCHEMBL168944 0.88 MET (0.60) METAXLAURKAABL1LCK
SCHEMBL698314 0.88 MET (0.64) METAXLKITPDGFRAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US claimed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP claimed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US claimed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP claimed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO claimed
EP-2423208-A1 Pharmaceutically active compounds as Axl inhibitors Lead Discovery Center GmbH (DE) 2012-02-29 EP claimed
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US disclosed
EP-2609091-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2014-11-26 EP disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
US-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCCHAFTEN E.V. (DE) 2014-01-16 US disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed
EP-2423208-A1 Pharmaceutically active compounds as Axl inhibitors Lead Discovery Center GmbH (DE) 2012-02-29 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 (1 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-20140018365-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS AXL, FLT3, ERBB3 MET 8/4885AXL 1/4885AURKA 203/4885

“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.