SCHEMBL2473158

SCHEMBL2473158

Nc1ccc2[nH]nc(-c3ccnc(F)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.52
AURKA O14965 1/20 0.49
LRRK2 Q5S007 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
NTRK1 P04629 2/20 0.45
GSK3B P49841 1/20 0.43
MAPKAPK2 P49137 3/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K4 P45985 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
JAK2 O60674 1/20 0.43
IDO1 P14902 1/20 0.43
ADORA2B P29275 1/20 0.41
DYRK1A Q13627 2/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
MKNK1 Q9BUB5 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
SCHEMBL12193576 0.84 TRPA1 (0.54) AXLAURKAHTR2AHTR2CHTR2B
SCHEMBL4222590 0.83 AXL (0.55) AXLAURKALRRK2HTR2AHTR2C
SCHEMBL3146838 0.82 LRRK2 (0.55) AXLAURKALRRK2HTR2AHTR2C
SCHEMBL15178476 0.82 AXL (0.53) AXLAURKAHTR2AHTR2CHTR2B
SCHEMBL16025587 0.81 MAPK1 (0.51) LRRK2NTRK1MAPKAPK2MAPK1MAP2K4
SCHEMBL16025493 0.81 FLT3 (0.62) AXLLRRK2HTR2AHTR2CHTR2B
SCHEMBL16025826 0.81 MAP2K4 (0.63) LRRK2NTRK1MAPKAPK2MAPK1MAP2K4
SCHEMBL2469031 0.81 AXL (0.55) AXLAURKAHTR2AHTR2CHTR2B
SCHEMBL16014217 0.81 IDO1 (0.58) AURKALRRK2MAPKAPK2MAPK1MAP2K4
SCHEMBL12193658 0.80 MKNK1 (0.61) AXLAURKALRRK2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
WO-2014137728-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-09-12 WO disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1966151-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2008-09-10 EP disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 AXL 2004/4885AURKA 780/4885LRRK2 641/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 AXL 2185/4885AURKA 589/4885LRRK2 410/4885

“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.