SCHEMBL2360342

SCHEMBL2360342

Cn1cc(-c2cc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c[n+]([O-])c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
KDR P35968 3/20 0.38
FGFR3 P22607 1/20 0.38
PIM1 P11309 3/20 0.36
MET P08581 7/20 0.36
MAPT P10636 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB4 Q15303 1/20 0.35
CHRM1 P11229 1/20 0.34
IDO1 P14902 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
BTK Q06187 1/20 0.34
PFKFB3 Q16875 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33

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
SCHEMBL2324653 0.88 FGFR3 (0.41) TGFBR1KDRFGFR3PIM1MET
SCHEMBL2321172 0.82 LRRK2 (0.46) METALOX5APFEN1
SCHEMBL2324685 0.78 PIM1 (0.47) TGFBR1KDRPIM1METMAPT
SCHEMBL2321737 0.78 MAPT (0.40) TGFBR1KDRPIM1METMAPT
SCHEMBL2327304 0.78 MET (0.40) TGFBR1KDRPIM1METMAPT
SCHEMBL2328465 0.76 MET (0.42) KDRFGFR3METMAPTPFKFB3
SCHEMBL12441209 0.75 MET (0.47) FGFR3METEGFR
SCHEMBL2327513 0.75 MET (0.42) TGFBR1METFEN1
SCHEMBL12440841 0.75 TGFBR1 (0.36) TGFBR1PIM1METIDO1FEN1
SCHEMBL12440044 0.75 FEN1 (0.43) TGFBR1PIM1EGFRFEN1

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
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-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
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 WO 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 TGFBR1 2919/4885KDR 3701/4885FGFR3 3152/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D TGFBR1 2919/4885KDR 3701/4885FGFR3 3152/4885

“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.