SCHEMBL2595141

SCHEMBL2595141

Nc1ccc2c(F)n[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.49
PDPK1 O15530 5/20 0.46
JAK2 O60674 3/20 0.44
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.41
GSK3B P49841 1/20 0.40
MAP2K4 P45985 1/20 0.40
PARP1 P09874 1/20 0.39
AURKA O14965 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL29644051 0.84 GSK3B (0.51) AXLPDPK1JAK2KDM4EMEN1
SCHEMBL7571499 0.84 GSK3B (0.51) AXLPDPK1JAK2KDM4EMEN1
SCHEMBL922069 0.81 PDPK1 (0.65) AXLPDPK1JAK2FGFR1FGFR2
SCHEMBL4226130 0.77 MAP2K4 (0.61) AXLPDPK1FGFR1FGFR2MAP2K4
SCHEMBL17547093 0.76 ITK (0.50) KIF11MAP2K4
SCHEMBL445902 0.76 FGFR1 (0.50) AXLPDPK1JAK2FGFR1FGFR2
SCHEMBL2926172 0.76 AXL (0.49) AXLPDPK1JAK2FGFR1FGFR2
SCHEMBL14755254 0.76 AXL (0.49) AXLPDPK1JAK2FGFR1FGFR2
SCHEMBL588513 0.76 AXL (0.50) AXLPDPK1JAK2FGFR1FGFR2
SCHEMBL15288061 0.76 PDPK1 (0.63) AXLPDPK1JAK2GSK3BMAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed
EP-2566477-B1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-02 EP disclosed
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 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-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 AXL 746/4885PDPK1 122/4885JAK2 119/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 AXL 746/4885PDPK1 122/4885JAK2 119/4885

“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.