SCHEMBL2364004

SCHEMBL2364004

OC/C=C/Cn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.36
TGFBR1 P36897 2/20 0.36
ACVR1 Q04771 1/20 0.36
MAP4K4 O95819 1/20 0.36
DHODH Q02127 1/20 0.35
MET P08581 6/20 0.34
PDK2 Q15119 1/20 0.34
ALOX5AP P20292 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
NPC1 O15118 1/20 0.33
CCNC P24863 1/20 0.32
FLT3 P36888 1/20 0.32
CDK8 P49336 1/20 0.32
MYLK Q15746 1/20 0.32

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
SCHEMBL2364006 1.00 FEN1 (0.36) FEN1TGFBR1ACVR1MAP4K4DHODH
SCHEMBL2323346 0.88 FEN1 (0.47) FEN1TGFBR1MAP4K4METPDK2
SCHEMBL13968502 0.88 TGFBR1 (0.41) FEN1TGFBR1ACVR1MAP4K4DHODH
SCHEMBL12440215 0.83 FEN1 (0.39) FEN1TGFBR1ACVR1MAP4K4MET
SCHEMBL2327583 0.82 MET (0.41) FEN1TGFBR1MAP4K4METPDK2
SCHEMBL2327513 0.81 MET (0.42) FEN1TGFBR1METPDK2
SCHEMBL2324685 0.81 PIM1 (0.47) FEN1TGFBR1DHODHMETPDK2
SCHEMBL12440010 0.80 MAPK1 (0.44) FEN1TGFBR1MAP4K4ALOX5APKDR
SCHEMBL19791355 0.79 MET (0.42) FEN1TGFBR1MAP4K4METPDK2
SCHEMBL13835189 0.79 NTRK1 (0.44) FEN1TGFBR1MAP4K4METPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-8614226-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2013-12-24 US disclosed
EP-2531500-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-12-12 EP disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D FEN1 1214/4885TGFBR1 2919/4885ACVR1 4013/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D FEN1 1214/4885TGFBR1 2919/4885ACVR1 4013/4885

“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.